1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol

C11H16F6O — CID 113326765

IUPAC1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CCCC(F)(F)F)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F6O/c12-10(13,14)6-2-5-9(18)4-1-3-8(7-9)11(15,16)17/h8,18H,1-7H2
InChIKeyUJVGZAZZCDUJMX-UHFFFAOYSA-N
MW278.24 g/mol
LogP4.20
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 113326765) has the molecular formula C11H16F6O and a molecular weight of 278.24 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID113326765
Molecular FormulaC11H16F6O
Molecular Weight278.24 g/mol
Exact Mass278.11
IUPAC Name1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CCCC(F)(F)F)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F6O/c12-10(13,14)6-2-5-9(18)4-1-3-8(7-9)11(15,16)17/h8,18H,1-7H2
InChIKeyUJVGZAZZCDUJMX-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758857
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
CID 75481559
1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758872
3-(4,4,4-trifluorobutyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171964307
4-(4,4,4-trifluorobutyl)azepan-4-ol
CID 103982859
3-(4,4,4-trifluorobutyl)azetidin-3-ol
CID 115515613
1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759664
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79827472
3-[(3S)-1-(2-carboxyethyl)-3-(trifluoromethyl)cyclohexyl]propanoic acid
CID 125479072
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 106265387
4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol
CID 115519605

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 113326765) is 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol is OC1(CCCC(F)(F)F)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is UJVGZAZZCDUJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O/c12-10(13,14)6-2-5-9(18)4-1-3-8(7-9)11(15,16)17/h8,18H,1-7H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 278.24 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 113326765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).