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

C9H8F2O — CID 50900984

IUPAC(E)-3-(2,3-difluorophenyl)prop-2-en-1-ol
SMILESOC/C=C/c1cccc(F)c1F
InChIInChI=1S/C9H8F2O/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-5,12H,6H2/b4-2+
InChIKeyMKPBTHWUSQGECI-DUXPYHPUSA-N
MW170.16 g/mol
LogP1.97
Rot. Bonds2

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

(E)-3-(2,3-difluorophenyl)prop-2-en-1-ol (PubChem CID 50900984) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is (E)-3-(2,3-difluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2,3-difluorophenyl)prop-2-en-1-ol
PubChem CID50900984
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name(E)-3-(2,3-difluorophenyl)prop-2-en-1-ol
SMILESOC/C=C/c1cccc(F)c1F
InChIInChI=1S/C9H8F2O/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-5,12H,6H2/b4-2+
InChIKeyMKPBTHWUSQGECI-DUXPYHPUSA-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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Related Compounds

Cinnamyl Alcohol
CID 5315892
2-Pentylcinnamic alcohol
CID 5368491
3-Phenylprop-2-En-1-Ol
CID 308
2-Pentyl-3-phenylprop-2-en-1-ol
CID 6076971
4-Phenylbut-3-en-2-ol
CID 15172
alpha-Amylcinnamyl alcohol
CID 7584
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
2,3-Difluorobenzyl Alcohol
CID 447153
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
2-Methyl-3-phenyl-2-propen-1-ol
CID 560879
alpha-Methylcinnamic alcohol
CID 6393846
2,4-Difluorobenzyl alcohol
CID 91867

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-difluorophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2,3-difluorophenyl)prop-2-en-1-ol (CID 50900984) is (E)-3-(2,3-difluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2,3-difluorophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2,3-difluorophenyl)prop-2-en-1-ol is OC/C=C/c1cccc(F)c1F.
What is the InChIKey of (E)-3-(2,3-difluorophenyl)prop-2-en-1-ol?
The InChIKey is MKPBTHWUSQGECI-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H8F2O/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-5,12H,6H2/b4-2+.
What are the key properties of (E)-3-(2,3-difluorophenyl)prop-2-en-1-ol?
(E)-3-(2,3-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-(2,3-difluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 50900984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).