1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene

C10H9Cl2F — CID 145259308

IUPAC1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene
SMILESC/C=C(\Cl)c1ccc(Cl)c(C)c1F
InChIInChI=1S/C10H9Cl2F/c1-3-8(11)7-4-5-9(12)6(2)10(7)13/h3-5H,1-2H3/b8-3-
InChIKeyJVZJFVKJHWWMPV-BAQGIRSFSA-N
MW219.09 g/mol
LogP4.39
Rot. Bonds1

About 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene

1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene (PubChem CID 145259308) has the molecular formula C10H9Cl2F and a molecular weight of 219.09 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene
PubChem CID145259308
Molecular FormulaC10H9Cl2F
Molecular Weight219.09 g/mol
Exact Mass218.01
IUPAC Name1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene
SMILESC/C=C(\Cl)c1ccc(Cl)c(C)c1F
InChIInChI=1S/C10H9Cl2F/c1-3-8(11)7-4-5-9(12)6(2)10(7)13/h3-5H,1-2H3/b8-3-
InChIKeyJVZJFVKJHWWMPV-BAQGIRSFSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-2-fluoro-3-methylbenzamide
CID 83385455
4-chloro-2-fluoro-3-methylbenzoyl isocyanate
CID 152633841
1-bromo-4-chloro-2-fluoro-3-methylbenzene
CID 13340108
1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene
CID 176684180
4-chloro-3-fluoro-2-methylbenzoic acid
CID 15218738
1-chloro-3-fluoro-4-(fluoromethyl)-2-methylbenzene
CID 131213999
2,4-dichloro-3-methylbenzoyl chloride
CID 13235952
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
CID 175755626
2-(4-chloro-2-fluoro-3-methylphenyl)-2,2-difluoroacetic acid
CID 127019570
N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide
CID 177272339
1-[(E)-4-bromobut-1-enyl]-4-chloro-2-fluoro-3-methylbenzene
CID 130593466

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene?
The IUPAC name of 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene (CID 145259308) is 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene.
What is the SMILES notation for 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene?
The canonical SMILES for 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene is C/C=C(\Cl)c1ccc(Cl)c(C)c1F.
What is the InChIKey of 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene?
The InChIKey is JVZJFVKJHWWMPV-BAQGIRSFSA-N. The full InChI is InChI=1S/C10H9Cl2F/c1-3-8(11)7-4-5-9(12)6(2)10(7)13/h3-5H,1-2H3/b8-3-.
What are the key properties of 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene?
1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene has a molecular weight of 219.09 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene is sourced from PubChem (CID 145259308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).