1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol

C9H12F9NO — CID 138396345

IUPAC1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
SMILESCN(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F9NO/c1-19(2)4-5(20)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h5,20H,3-4H2,1-2H3
InChIKeyLSUAQOJEEKKGRB-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.77
Rot. Bonds6

About 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol

1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol (PubChem CID 138396345) has the molecular formula C9H12F9NO and a molecular weight of 321.18 g/mol. Its IUPAC name is 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
PubChem CID138396345
Molecular FormulaC9H12F9NO
Molecular Weight321.18 g/mol
Exact Mass321.08
IUPAC Name1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
SMILESCN(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F9NO/c1-19(2)4-5(20)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h5,20H,3-4H2,1-2H3
InChIKeyLSUAQOJEEKKGRB-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol with MolForge

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Related Compounds

azanium 2-[methyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl)amino]acetic acid
CID 102295547
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecane-1,2-diol;methane
CID 159263561
4,4,5,5,6,6,7,7,7-nonafluoro-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 175898176
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-4-ol
CID 154477195
1-(aziridin-1-yl)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol
CID 11971315
carboxy-dimethyl-(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-pentacosafluoro-2-hydroxypentadecyl)azanium
CID 165365001
2-methylprop-2-enoic acid;4,4,5,5,6,6,7,7,7-nonafluoroheptane-1,2-diol
CID 87169418
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-henicosafluorohexadec-1-en-5-ol
CID 154477196
8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol
CID 162348481
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19-nonatriacontafluoro-21-methyldocosane
CID 58527537
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane
CID 59685379
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-3-iodododecan-2-ol
CID 134975406

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol?
The IUPAC name of 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol (CID 138396345) is 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol?
The canonical SMILES for 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol is CN(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol?
The InChIKey is LSUAQOJEEKKGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F9NO/c1-19(2)4-5(20)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h5,20H,3-4H2,1-2H3.
What are the key properties of 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol?
1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol has a molecular weight of 321.18 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol is sourced from PubChem (CID 138396345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).