1,1-dicyclohexyl-2,2,2-trifluoroethanol

C14H23F3O — CID 15537559

IUPAC1,1-dicyclohexyl-2,2,2-trifluoroethanol
SMILESOC(C1CCCCC1)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H23F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,18H,1-10H2
InChIKeyXBPSILIXMWYCHD-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.44
Rot. Bonds2

About 1,1-dicyclohexyl-2,2,2-trifluoroethanol

1,1-dicyclohexyl-2,2,2-trifluoroethanol (PubChem CID 15537559) has the molecular formula C14H23F3O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,1-dicyclohexyl-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1,1-dicyclohexyl-2,2,2-trifluoroethanol
PubChem CID15537559
Molecular FormulaC14H23F3O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1,1-dicyclohexyl-2,2,2-trifluoroethanol
SMILESOC(C1CCCCC1)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H23F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,18H,1-10H2
InChIKeyXBPSILIXMWYCHD-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1,1'-Bicyclohexyl]-1-ol
CID 76181
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
1,1-Dicyclohexylethanol
CID 13016083
1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl]propan-2-ol
CID 10557498
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclohexan-1-ol
CID 101874589
1,1,1,3,3,3-Hexafluoro-2-cyclohexyl-2-propanol
CID 11149363
4-(4-Propylcyclohexyl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexan-1-ol
CID 18650478
2-Methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 20578475
2,2,2-Trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol
CID 20743918
2-(Cyclohexylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20826489
5-(1-Cyclohexylethyl)-3-(1,1-difluoroethyl)-2,2,3-trifluoro-1-(trifluoromethyl)cyclohexan-1-ol
CID 21019075
2-(4-Butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21020793

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-2,2,2-trifluoroethanol?
The IUPAC name of 1,1-dicyclohexyl-2,2,2-trifluoroethanol (CID 15537559) is 1,1-dicyclohexyl-2,2,2-trifluoroethanol.
What is the SMILES notation for 1,1-dicyclohexyl-2,2,2-trifluoroethanol?
The canonical SMILES for 1,1-dicyclohexyl-2,2,2-trifluoroethanol is OC(C1CCCCC1)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of 1,1-dicyclohexyl-2,2,2-trifluoroethanol?
The InChIKey is XBPSILIXMWYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,18H,1-10H2.
What are the key properties of 1,1-dicyclohexyl-2,2,2-trifluoroethanol?
1,1-dicyclohexyl-2,2,2-trifluoroethanol has a molecular weight of 264.33 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-2,2,2-trifluoroethanol is sourced from PubChem (CID 15537559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).