1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol

C10H10F4O — CID 122549955

IUPAC1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H10F4O/c1-2-9(15)7-4-3-6(5-8(7)11)10(12,13)14/h3-5,9,15H,2H2,1H3
InChIKeyCUGQSKPXUJRTGT-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.29
Rot. Bonds2

About 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol

1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 122549955) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID122549955
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H10F4O/c1-2-9(15)7-4-3-6(5-8(7)11)10(12,13)14/h3-5,9,15H,2H2,1H3
InChIKeyCUGQSKPXUJRTGT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol (CID 122549955) is 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol is CCC(O)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is CUGQSKPXUJRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c1-2-9(15)7-4-3-6(5-8(7)11)10(12,13)14/h3-5,9,15H,2H2,1H3.
What are the key properties of 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
1-[2-fluoro-4-(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 1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 122549955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).