1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol

C14H2F28O — CID 91384893

IUPAC1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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)F
InChIInChI=1S/C14H2F28O/c15-1(3(18,19)5(22,23)7(26,27)12(36,37)14(41,42)43)2(16,17)4(20,21)6(24,25)8(28,29)9(30,31)10(32,33)11(34,35)13(38,39)40/h1,43H
InChIKeySEOODNQKVKEDFH-UHFFFAOYSA-N
MW718.11 g/mol
LogP8.46
Rot. Bonds12

About 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol

1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol (PubChem CID 91384893) has the molecular formula C14H2F28O and a molecular weight of 718.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
PubChem CID91384893
Molecular FormulaC14H2F28O
Molecular Weight718.11 g/mol
Exact Mass717.97
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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)F
InChIInChI=1S/C14H2F28O/c15-1(3(18,19)5(22,23)7(26,27)12(36,37)14(41,42)43)2(16,17)4(20,21)6(24,25)8(28,29)9(30,31)10(32,33)11(34,35)13(38,39)40/h1,43H
InChIKeySEOODNQKVKEDFH-UHFFFAOYSA-N
XLogP8.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.11
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol with MolForge

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Related Compounds

1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
CID 174363014
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-hexacosafluorotridecan-1-ol
CID 118339748
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-hentriacontafluorohexadecane-1,16-diol
CID 22025717
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecane-1-thiol
CID 18387026
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-ol;tetramethylazanium
CID 175157048
trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
CID 174966166
1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol
CID 54146634
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol
CID 175326600
1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol
CID 87439552
sodium;hydride;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 173105318
1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol
CID 174974760
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl carbonochloridate
CID 87686124

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol (CID 91384893) is 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol is OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol?
The InChIKey is SEOODNQKVKEDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F28O/c15-1(3(18,19)5(22,23)7(26,27)12(36,37)14(41,42)43)2(16,17)4(20,21)6(24,25)8(28,29)9(30,31)10(32,33)11(34,35)13(38,39)40/h1,43H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol?
1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol has a molecular weight of 718.11 g/mol, XLogP of 8.46, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol is sourced from PubChem (CID 91384893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).