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

C9H7ClF2O — CID 145207122

IUPAC(E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol
SMILESOC/C=C(/Cl)c1cccc(F)c1F
InChIInChI=1S/C9H7ClF2O/c10-7(4-5-13)6-2-1-3-8(11)9(6)12/h1-4,13H,5H2/b7-4+
InChIKeyDCJRKBJMFIINRX-QPJJXVBHSA-N
MW204.60 g/mol
LogP2.54
Rot. Bonds2

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

(E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol (PubChem CID 145207122) has the molecular formula C9H7ClF2O and a molecular weight of 204.60 g/mol. Its IUPAC name is (E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol
PubChem CID145207122
Molecular FormulaC9H7ClF2O
Molecular Weight204.60 g/mol
Exact Mass204.02
IUPAC Name(E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol
SMILESOC/C=C(/Cl)c1cccc(F)c1F
InChIInChI=1S/C9H7ClF2O/c10-7(4-5-13)6-2-1-3-8(11)9(6)12/h1-4,13H,5H2/b7-4+
InChIKeyDCJRKBJMFIINRX-QPJJXVBHSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.60
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)prop-2-en-1-ol
CID 118140885
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1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene
CID 18993725
2,3-difluorobenzoyl bromide
CID 91168195
2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528227
1,2,3-trifluorobenzene
CID 15147
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
4-(2,3-difluorophenyl)-N-ethylpent-3-en-1-amine
CID 79599095
N-tert-butyl-4-(2,3-difluorophenyl)pent-3-en-1-amine
CID 79606963
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
CID 67458775

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol (CID 145207122) is (E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol is OC/C=C(/Cl)c1cccc(F)c1F.
What is the InChIKey of (E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol?
The InChIKey is DCJRKBJMFIINRX-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H7ClF2O/c10-7(4-5-13)6-2-1-3-8(11)9(6)12/h1-4,13H,5H2/b7-4+.
What are the key properties of (E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol?
(E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol has a molecular weight of 204.60 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 145207122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).