(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol

C9H8F2O — CID 27282124

IUPAC(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
SMILESOC/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-2,4-6,12H,3H2/b2-1+
InChIKeyLTGHGWDPLZTILW-OWOJBTEDSA-N
MW170.16 g/mol
LogP1.97
Rot. Bonds2

About (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol

(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol (PubChem CID 27282124) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
PubChem CID27282124
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
SMILESOC/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-2,4-6,12H,3H2/b2-1+
InChIKeyLTGHGWDPLZTILW-OWOJBTEDSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol (CID 27282124) is (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol is OC/C=C/c1cc(F)cc(F)c1.
What is the InChIKey of (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol?
The InChIKey is LTGHGWDPLZTILW-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H8F2O/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-2,4-6,12H,3H2/b2-1+.
What are the key properties of (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol?
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol has a molecular weight of 170.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-difluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 27282124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).