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

C10H11F3O — CID 5314415

IUPAC1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKeyDSPWVWRWAPFFNC-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.15
Rot. Bonds2

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

1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 5314415) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID5314415
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKeyDSPWVWRWAPFFNC-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 5314415) is 1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]propan-1-ol is CCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is DSPWVWRWAPFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,9,14H,2H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]propan-1-ol?
1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 204.19 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 5314415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).