1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene

C15H9Cl2F3 — CID 68735519

IUPAC1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(/C(=C/c2ccccc2Cl)CCl)cc1F
InChIInChI=1S/C15H9Cl2F3/c16-8-10(5-9-3-1-2-4-12(9)17)11-6-14(19)15(20)7-13(11)18/h1-7H,8H2/b10-5+
InChIKeySFPJQFYUGFMESU-BJMVGYQFSA-N
MW317.14 g/mol
LogP5.54
Rot. Bonds3

About 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene

1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene (PubChem CID 68735519) has the molecular formula C15H9Cl2F3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene
PubChem CID68735519
Molecular FormulaC15H9Cl2F3
Molecular Weight317.14 g/mol
Exact Mass316.00
IUPAC Name1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(/C(=C/c2ccccc2Cl)CCl)cc1F
InChIInChI=1S/C15H9Cl2F3/c16-8-10(5-9-3-1-2-4-12(9)17)11-6-14(19)15(20)7-13(11)18/h1-7H,8H2/b10-5+
InChIKeySFPJQFYUGFMESU-BJMVGYQFSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.14
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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
2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene
CID 68734505
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
(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol
CID 14497611
1-chloro-2-(2,2-dichloroethenyl)benzene
CID 11298721
1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene
CID 68781452
(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 7945580
1-[3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene;2-(bromomethyl)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxirane
CID 159961182
(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride
CID 58417700
1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 84848856
1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole
CID 10870725

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene (CID 68735519) is 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene is Fc1cc(F)c(/C(=C/c2ccccc2Cl)CCl)cc1F.
What is the InChIKey of 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene?
The InChIKey is SFPJQFYUGFMESU-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H9Cl2F3/c16-8-10(5-9-3-1-2-4-12(9)17)11-6-14(19)15(20)7-13(11)18/h1-7H,8H2/b10-5+.
What are the key properties of 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene?
1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene has a molecular weight of 317.14 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 68735519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).