4-(trifluoromethyl)cyclohexan-1-ol

C14H22F6O2 — CID 129011106

IUPAC4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)CC1.OC1CCC(C(F)(F)F)CC1
InChIInChI=1S/2C7H11F3O/c2*8-7(9,10)5-1-3-6(11)4-2-5/h2*5-6,11H,1-4H2
InChIKeyOIOSAQYVDHUTFZ-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.20
Rot. Bonds

About 4-(trifluoromethyl)cyclohexan-1-ol

4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 129011106) has the molecular formula C14H22F6O2 and a molecular weight of 336.32 g/mol. Its IUPAC name is 4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID129011106
Molecular FormulaC14H22F6O2
Molecular Weight336.32 g/mol
Exact Mass336.15
IUPAC Name4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)CC1.OC1CCC(C(F)(F)F)CC1
InChIInChI=1S/2C7H11F3O/c2*8-7(9,10)5-1-3-6(11)4-2-5/h2*5-6,11H,1-4H2
InChIKeyOIOSAQYVDHUTFZ-UHFFFAOYSA-N
XLogP4.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(trifluoromethyl)cyclohexan-1-ol (CID 129011106) is 4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(C(F)(F)F)CC1.OC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OIOSAQYVDHUTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11F3O/c2*8-7(9,10)5-1-3-6(11)4-2-5/h2*5-6,11H,1-4H2.
What are the key properties of 4-(trifluoromethyl)cyclohexan-1-ol?
4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 336.32 g/mol, XLogP of 4.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 129011106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).