(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol

C13H16ClF3O — CID 155931005

IUPAC(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Cc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3O/c1-8(2)10(7-18)5-9-3-4-12(14)11(6-9)13(15,16)17/h3-4,6,8,10,18H,5,7H2,1-2H3/t10-/m0/s1
InChIKeyYBVIOLXAHMXCLN-JTQLQIEISA-N
MW280.72 g/mol
LogP4.17
Rot. Bonds4

About (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol

(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol (PubChem CID 155931005) has the molecular formula C13H16ClF3O and a molecular weight of 280.72 g/mol. Its IUPAC name is (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol
PubChem CID155931005
Molecular FormulaC13H16ClF3O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Cc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3O/c1-8(2)10(7-18)5-9-3-4-12(14)11(6-9)13(15,16)17/h3-4,6,8,10,18H,5,7H2,1-2H3/t10-/m0/s1
InChIKeyYBVIOLXAHMXCLN-JTQLQIEISA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol (CID 155931005) is (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol is CC(C)[C@H](CO)Cc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol?
The InChIKey is YBVIOLXAHMXCLN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClF3O/c1-8(2)10(7-18)5-9-3-4-12(14)11(6-9)13(15,16)17/h3-4,6,8,10,18H,5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol?
(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol has a molecular weight of 280.72 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 155931005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).