1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene

C15H16ClF3S — CID 139833829

IUPAC1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C(=Cc1ccc(Cl)cc1)SC1CCCCC1
InChIInChI=1S/C15H16ClF3S/c16-12-8-6-11(7-9-12)10-14(15(17,18)19)20-13-4-2-1-3-5-13/h6-10,13H,1-5H2
InChIKeyNOGLADGILGASJK-UHFFFAOYSA-N
MW320.81 g/mol
LogP6.31
Rot. Bonds3

About 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene

1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene (PubChem CID 139833829) has the molecular formula C15H16ClF3S and a molecular weight of 320.81 g/mol. Its IUPAC name is 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene
PubChem CID139833829
Molecular FormulaC15H16ClF3S
Molecular Weight320.81 g/mol
Exact Mass320.06
IUPAC Name1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C(=Cc1ccc(Cl)cc1)SC1CCCCC1
InChIInChI=1S/C15H16ClF3S/c16-12-8-6-11(7-9-12)10-14(15(17,18)19)20-13-4-2-1-3-5-13/h6-10,13H,1-5H2
InChIKeyNOGLADGILGASJK-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.81
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7639
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1,3-Di(4-chloro-benzyl)trisulfane
CID 44416171
2-(4-Chlorophenyl)-1,3-dithiolane
CID 31710
1-Chloro-4-[(methylthio)methyl]benzene
CID 80025
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2-(4-Chlorophenyl)-1,3-dithiane
CID 25199
3-[(4-Chlorophenyl)methylsulfanyl]-1,1,1-trifluoropropan-2-one
CID 76327469
1-(Bis(benzylthio)methyl)-4-chlorobenzene
CID 377594
1-Chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene
CID 2804859

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene?
The IUPAC name of 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene (CID 139833829) is 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene.
What is the SMILES notation for 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene?
The canonical SMILES for 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene is FC(F)(F)C(=Cc1ccc(Cl)cc1)SC1CCCCC1.
What is the InChIKey of 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene?
The InChIKey is NOGLADGILGASJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3S/c16-12-8-6-11(7-9-12)10-14(15(17,18)19)20-13-4-2-1-3-5-13/h6-10,13H,1-5H2.
What are the key properties of 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene?
1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene has a molecular weight of 320.81 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-cyclohexylsulfanyl-3,3,3-trifluoroprop-1-enyl)benzene is sourced from PubChem (CID 139833829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).