1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol

C17H11F24NO — CID 165365028

IUPAC1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol
SMILESCN(C)CC(O)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H11F24NO/c1-42(2)4-5(43)3-6(18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)41/h3,5,43H,4H2,1-2H3
InChIKeyNCMFFFMBLODDAH-UHFFFAOYSA-N
MW701.23 g/mol
LogP7.68
Rot. Bonds13

About 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol

1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol (PubChem CID 165365028) has the molecular formula C17H11F24NO and a molecular weight of 701.23 g/mol. Its IUPAC name is 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol
PubChem CID165365028
Molecular FormulaC17H11F24NO
Molecular Weight701.23 g/mol
Exact Mass701.05
IUPAC Name1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol
SMILESCN(C)CC(O)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H11F24NO/c1-42(2)4-5(43)3-6(18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)41/h3,5,43H,4H2,1-2H3
InChIKeyNCMFFFMBLODDAH-UHFFFAOYSA-N
XLogP7.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.23
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol with MolForge

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Related Compounds

1-[1,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-2-enyl(methyl)amino]ethanol
CID 173422813
2-[dimethyl-(4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-octacosafluoro-2-hydroxyheptadec-3-enyl)azaniumyl]acetate
CID 165365044
(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol
CID 102450031
1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
CID 138396345
3-ethyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoropentadec-2-ene
CID 174838842
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
[1-(dimethylamino)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-(hydroxymethoxy)tridecan-3-yl] formate
CID 165364959
(Z)-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-ene-1-sulfonic acid
CID 165364863
3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol
CID 140934909
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N,N-dimethyldecan-1-amine
CID 10051282
3,4,4,5,5,6,6,7,7,7-decafluorohept-2-enoic acid
CID 91118314
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tetracosafluorotridec-1-ene
CID 162345261

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol?
The IUPAC name of 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol (CID 165365028) is 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol.
What is the SMILES notation for 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol?
The canonical SMILES for 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol is CN(C)CC(O)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol?
The InChIKey is NCMFFFMBLODDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F24NO/c1-42(2)4-5(43)3-6(18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)41/h3,5,43H,4H2,1-2H3.
What are the key properties of 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol?
1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol has a molecular weight of 701.23 g/mol, XLogP of 7.68, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-tetracosafluoropentadec-3-en-2-ol is sourced from PubChem (CID 165365028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).