3-[2-(trifluoromethyl)phenyl]propan-1-ol

C10H11F3O — CID 22387690

IUPAC3-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3O/c11-10(12,13)9-6-2-1-4-8(9)5-3-7-14/h1-2,4,6,14H,3,5,7H2
InChIKeyMNJCAHDWFQQMFI-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.63
Rot. Bonds3

About 3-[2-(trifluoromethyl)phenyl]propan-1-ol

3-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 22387690) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID22387690
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name3-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3O/c11-10(12,13)9-6-2-1-4-8(9)5-3-7-14/h1-2,4,6,14H,3,5,7H2
InChIKeyMNJCAHDWFQQMFI-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 22387690) is 3-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]propan-1-ol is OCCCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is MNJCAHDWFQQMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c11-10(12,13)9-6-2-1-4-8(9)5-3-7-14/h1-2,4,6,14H,3,5,7H2.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]propan-1-ol?
3-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 204.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 22387690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).