1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene

C15H10ClF3S — CID 139262821

IUPAC1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(S/C=C(\Cl)c2ccccc2)cc1
InChIInChI=1S/C15H10ClF3S/c16-14(11-4-2-1-3-5-11)10-20-13-8-6-12(7-9-13)15(17,18)19/h1-10H/b14-10-
InChIKeyLHLXCQPZUBRGPT-UVTDQMKNSA-N
MW314.76 g/mol
LogP6.03
Rot. Bonds3

About 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene

1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene (PubChem CID 139262821) has the molecular formula C15H10ClF3S and a molecular weight of 314.76 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene
PubChem CID139262821
Molecular FormulaC15H10ClF3S
Molecular Weight314.76 g/mol
Exact Mass314.01
IUPAC Name1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(S/C=C(\Cl)c2ccccc2)cc1
InChIInChI=1S/C15H10ClF3S/c16-14(11-4-2-1-3-5-11)10-20-13-8-6-12(7-9-13)15(17,18)19/h1-10H/b14-10-
InChIKeyLHLXCQPZUBRGPT-UVTDQMKNSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.76
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene (CID 139262821) is 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(S/C=C(\Cl)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is LHLXCQPZUBRGPT-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H10ClF3S/c16-14(11-4-2-1-3-5-11)10-20-13-8-6-12(7-9-13)15(17,18)19/h1-10H/b14-10-.
What are the key properties of 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene?
1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene has a molecular weight of 314.76 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 139262821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).