2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene

C15H10Cl2F2 — CID 68734505

IUPAC2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene
SMILESFc1ccc(/C(=C/c2ccccc2F)CCl)c(Cl)c1
InChIInChI=1S/C15H10Cl2F2/c16-9-11(7-10-3-1-2-4-15(10)19)13-6-5-12(18)8-14(13)17/h1-8H,9H2/b11-7+
InChIKeyBTVVXVDKHYADKF-YRNVUSSQSA-N
MW299.15 g/mol
LogP5.40
Rot. Bonds3

About 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene

2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene (PubChem CID 68734505) has the molecular formula C15H10Cl2F2 and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene
PubChem CID68734505
Molecular FormulaC15H10Cl2F2
Molecular Weight299.15 g/mol
Exact Mass298.01
IUPAC Name2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene
SMILESFc1ccc(/C(=C/c2ccccc2F)CCl)c(Cl)c1
InChIInChI=1S/C15H10Cl2F2/c16-9-11(7-10-3-1-2-4-15(10)19)13-6-5-12(18)8-14(13)17/h1-8H,9H2/b11-7+
InChIKeyBTVVXVDKHYADKF-YRNVUSSQSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.15
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene
CID 68781778
1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene
CID 68735519
1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene
CID 68734487
2-[3-chloro-1-(2-methylphenyl)prop-1-en-2-yl]-1,4-difluorobenzene
CID 68782958
1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene
CID 68781452
2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene
CID 68778468
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol
CID 14497611
N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
1-(2,2-dibromoethenyl)-2-fluorobenzene
CID 643344

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene?
The IUPAC name of 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene (CID 68734505) is 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene?
The canonical SMILES for 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene is Fc1ccc(/C(=C/c2ccccc2F)CCl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene?
The InChIKey is BTVVXVDKHYADKF-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H10Cl2F2/c16-9-11(7-10-3-1-2-4-15(10)19)13-6-5-12(18)8-14(13)17/h1-8H,9H2/b11-7+.
What are the key properties of 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene?
2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene has a molecular weight of 299.15 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene is sourced from PubChem (CID 68734505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).