(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol

C10H10F4O — CID 97294480

IUPAC(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F4O/c1-2-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5,9,15H,2H2,1H3/t9-/m1/s1
InChIKeyKBEYZUQUEAEYIJ-SECBINFHSA-N
MW222.18 g/mol
LogP3.29
Rot. Bonds2

About (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol

(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 97294480) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID97294480
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F4O/c1-2-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5,9,15H,2H2,1H3/t9-/m1/s1
InChIKeyKBEYZUQUEAEYIJ-SECBINFHSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171268942
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 115351272
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol
CID 115351041
1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene
CID 118269607
2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351165
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077
2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351095
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol (CID 97294480) is (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol is CC[C@@H](O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is KBEYZUQUEAEYIJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F4O/c1-2-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5,9,15H,2H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol?
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 222.18 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 97294480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).