3-(2,3,4-trifluorophenyl)propan-1-ol

C9H9F3O — CID 53403866

IUPAC3-(2,3,4-trifluorophenyl)propan-1-ol
SMILESOCCCc1ccc(F)c(F)c1F
InChIInChI=1S/C9H9F3O/c10-7-4-3-6(2-1-5-13)8(11)9(7)12/h3-4,13H,1-2,5H2
InChIKeyQRWOSXAVHYZSTQ-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.03
Rot. Bonds3

About 3-(2,3,4-trifluorophenyl)propan-1-ol

3-(2,3,4-trifluorophenyl)propan-1-ol (PubChem CID 53403866) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-(2,3,4-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3,4-trifluorophenyl)propan-1-ol
PubChem CID53403866
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name3-(2,3,4-trifluorophenyl)propan-1-ol
SMILESOCCCc1ccc(F)c(F)c1F
InChIInChI=1S/C9H9F3O/c10-7-4-3-6(2-1-5-13)8(11)9(7)12/h3-4,13H,1-2,5H2
InChIKeyQRWOSXAVHYZSTQ-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trifluorophenyl)propan-1-ol?
The IUPAC name of 3-(2,3,4-trifluorophenyl)propan-1-ol (CID 53403866) is 3-(2,3,4-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(2,3,4-trifluorophenyl)propan-1-ol?
The canonical SMILES for 3-(2,3,4-trifluorophenyl)propan-1-ol is OCCCc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(2,3,4-trifluorophenyl)propan-1-ol?
The InChIKey is QRWOSXAVHYZSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c10-7-4-3-6(2-1-5-13)8(11)9(7)12/h3-4,13H,1-2,5H2.
What are the key properties of 3-(2,3,4-trifluorophenyl)propan-1-ol?
3-(2,3,4-trifluorophenyl)propan-1-ol has a molecular weight of 190.16 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 53403866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).