(1R)-1-[4-(trifluoromethyl)phenyl]ethanol

C9H9F3O — CID 2779042

IUPAC(1R)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3/t6-/m1/s1
InChIKeyYMXIDIAEXNLCFT-ZCFIWIBFSA-N
MW190.16 g/mol
LogP2.76
Rot. Bonds1

About (1R)-1-[4-(trifluoromethyl)phenyl]ethanol

(1R)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 2779042) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is (1R)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID2779042
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name(1R)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3/t6-/m1/s1
InChIKeyYMXIDIAEXNLCFT-ZCFIWIBFSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 2779042) is (1R)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(trifluoromethyl)phenyl]ethanol is C[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is YMXIDIAEXNLCFT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[4-(trifluoromethyl)phenyl]ethanol?
(1R)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 190.16 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 2779042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).