2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol

C9H4F14O — CID 18541648

IUPAC2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol
SMILESOCC(F)(F)C(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H4F14O/c10-2(3(11,12)1-24)4(13)5(14,15)7(18,19)9(22,23)8(20,21)6(4,16)17/h2,24H,1H2
InChIKeyFWFBSPPCTWFRMM-UHFFFAOYSA-N
MW394.10 g/mol
LogP3.85
Rot. Bonds3

About 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol

2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol (PubChem CID 18541648) has the molecular formula C9H4F14O and a molecular weight of 394.10 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol
PubChem CID18541648
Molecular FormulaC9H4F14O
Molecular Weight394.10 g/mol
Exact Mass394.00
IUPAC Name2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol
SMILESOCC(F)(F)C(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H4F14O/c10-2(3(11,12)1-24)4(13)5(14,15)7(18,19)9(22,23)8(20,21)6(4,16)17/h2,24H,1H2
InChIKeyFWFBSPPCTWFRMM-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.10
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Octanol, 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)-
CID 2776097
3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776232
Perfluorocyclohexylmethanol
CID 2782563
1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 10943092
7,8,8,8-Tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
2-(Perfluoro-7-methyloctyl)ethanol
CID 2776203
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Icosafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 2776212
7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
CID 2776233
5,5,6,6,7,7,7-Heptafluoro-4,4-bis(trifluoromethyl)heptan-1-ol
CID 13637735
3-(Perfluoro-7-methyloctyl)propanol
CID 86017153
(4,4-Difluorocyclohexyl)methanol
CID 21184133
Alcohols, C8-14, gamma-omega-perfluoro
CID 110094

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol?
The IUPAC name of 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol (CID 18541648) is 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol.
What is the SMILES notation for 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol?
The canonical SMILES for 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol is OCC(F)(F)C(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol?
The InChIKey is FWFBSPPCTWFRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F14O/c10-2(3(11,12)1-24)4(13)5(14,15)7(18,19)9(22,23)8(20,21)6(4,16)17/h2,24H,1H2.
What are the key properties of 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol?
2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol has a molecular weight of 394.10 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol is sourced from PubChem (CID 18541648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).