3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol

C10H14F6O — CID 172565029

IUPAC3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol
SMILESOC1CC(CC(F)(F)F)CC(CC(F)(F)F)C1
InChIInChI=1S/C10H14F6O/c11-9(12,13)4-6-1-7(3-8(17)2-6)5-10(14,15)16/h6-8,17H,1-5H2
InChIKeyPQXVMXRFMUHPTL-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.67
Rot. Bonds2

About 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol

3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol (PubChem CID 172565029) has the molecular formula C10H14F6O and a molecular weight of 264.21 g/mol. Its IUPAC name is 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol
PubChem CID172565029
Molecular FormulaC10H14F6O
Molecular Weight264.21 g/mol
Exact Mass264.09
IUPAC Name3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol
SMILESOC1CC(CC(F)(F)F)CC(CC(F)(F)F)C1
InChIInChI=1S/C10H14F6O/c11-9(12,13)4-6-1-7(3-8(17)2-6)5-10(14,15)16/h6-8,17H,1-5H2
InChIKeyPQXVMXRFMUHPTL-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol
CID 142150919
3-(2,2-dimethylpropyl)cyclobutan-1-ol
CID 66598008
3-(hydroxymethyl)cyclobutan-1-ol
CID 14045176
3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-ol
CID 66006339
cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
CID 99986355
3-(aminomethyl)cyclobutan-1-ol;hydrochloride
CID 71651055
3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 66004496
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117
cyclobutane-1,3-diol
CID 175518786
3-[2-[[3-chloro-5-[[3-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-2-pyridinyl]amino]ethyl]cyclobutan-1-ol
CID 167794307
3-(1,1-difluoroethyl)cyclobutan-1-ol
CID 155891385
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-ol
CID 102723532

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol?
The IUPAC name of 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol (CID 172565029) is 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol is OC1CC(CC(F)(F)F)CC(CC(F)(F)F)C1.
What is the InChIKey of 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol?
The InChIKey is PQXVMXRFMUHPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O/c11-9(12,13)4-6-1-7(3-8(17)2-6)5-10(14,15)16/h6-8,17H,1-5H2.
What are the key properties of 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol?
3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol has a molecular weight of 264.21 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 172565029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).