1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

C9H6ClF3 — CID 12700740

IUPAC1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESFC(F)(F)/C=C/c1ccccc1Cl
InChIInChI=1S/C9H6ClF3/c10-8-4-2-1-3-7(8)5-6-9(11,12)13/h1-6H/b6-5+
InChIKeyJNPLWYXSWJLCML-AATRIKPKSA-N
MW206.59 g/mol
LogP3.92
Rot. Bonds1

About 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 12700740) has the molecular formula C9H6ClF3 and a molecular weight of 206.59 g/mol. Its IUPAC name is 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
PubChem CID12700740
Molecular FormulaC9H6ClF3
Molecular Weight206.59 g/mol
Exact Mass206.01
IUPAC Name1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESFC(F)(F)/C=C/c1ccccc1Cl
InChIInChI=1S/C9H6ClF3/c10-8-4-2-1-3-7(8)5-6-9(11,12)13/h1-6H/b6-5+
InChIKeyJNPLWYXSWJLCML-AATRIKPKSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.59
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
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2-(2-chlorophenyl)ethenamine
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(E,2S)-4-(2-chlorophenyl)-2-methylbut-3-ene-1,2-diol
CID 11287323
1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene
CID 173411062
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
2-[(E)-3,3,3-trifluoroprop-1-enyl]benzoic acid
CID 125476108
2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 69287667
1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene
CID 174719569
1-chloro-2-(2-phosphorosoethenyl)benzene
CID 175046650
(Z)-3-(2-chlorophenyl)prop-2-enenitrile
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CID 102035541
CID 102035541

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The IUPAC name of 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (CID 12700740) is 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The canonical SMILES for 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is FC(F)(F)/C=C/c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The InChIKey is JNPLWYXSWJLCML-AATRIKPKSA-N. The full InChI is InChI=1S/C9H6ClF3/c10-8-4-2-1-3-7(8)5-6-9(11,12)13/h1-6H/b6-5+.
What are the key properties of 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 206.59 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 12700740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).