[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol

C14H17F3O — CID 140961429

IUPAC[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol
SMILES[2H]C([2H])(O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3O/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11,18H,1-5,9H2/i9D2
InChIKeyXIRMFYAEMKQCRT-KNXIQCGSSA-N
MW260.30 g/mol
LogP4.25
Rot. Bonds2

About [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol

[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol (PubChem CID 140961429) has the molecular formula C14H17F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol.

Molecular Properties

Compound Name[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol
PubChem CID140961429
Molecular FormulaC14H17F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol
SMILES[2H]C([2H])(O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3O/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11,18H,1-5,9H2/i9D2
InChIKeyXIRMFYAEMKQCRT-KNXIQCGSSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol?
The IUPAC name of [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol (CID 140961429) is [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol.
What is the SMILES notation for [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol?
The canonical SMILES for [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol is [2H]C([2H])(O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol?
The InChIKey is XIRMFYAEMKQCRT-KNXIQCGSSA-N. The full InChI is InChI=1S/C14H17F3O/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11,18H,1-5,9H2/i9D2.
What are the key properties of [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol?
[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol has a molecular weight of 260.30 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol is sourced from PubChem (CID 140961429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).