1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene

C15H16ClF3S — CID 20692860

IUPAC1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene
SMILESCSC1CCC(/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1
InChIInChI=1S/C15H16ClF3S/c1-20-13-7-2-10(8-13)9-14(15(17,18)19)11-3-5-12(16)6-4-11/h3-6,9-10,13H,2,7-8H2,1H3/b14-9-
InChIKeyUQAXLAIEEMKTMU-ZROIWOOFSA-N
MW320.81 g/mol
LogP5.82
Rot. Bonds3

About 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene

1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene (PubChem CID 20692860) has the molecular formula C15H16ClF3S and a molecular weight of 320.81 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene
PubChem CID20692860
Molecular FormulaC15H16ClF3S
Molecular Weight320.81 g/mol
Exact Mass320.06
IUPAC Name1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene
SMILESCSC1CCC(/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1
InChIInChI=1S/C15H16ClF3S/c1-20-13-7-2-10(8-13)9-14(15(17,18)19)11-3-5-12(16)6-4-11/h3-6,9-10,13H,2,7-8H2,1H3/b14-9-
InChIKeyUQAXLAIEEMKTMU-ZROIWOOFSA-N
XLogP5.82
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 ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene (CID 20692860) is 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene is CSC1CCC(/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1.
What is the InChIKey of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene?
The InChIKey is UQAXLAIEEMKTMU-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H16ClF3S/c1-20-13-7-2-10(8-13)9-14(15(17,18)19)11-3-5-12(16)6-4-11/h3-6,9-10,13H,2,7-8H2,1H3/b14-9-.
What are the key properties of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene?
1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene has a molecular weight of 320.81 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-(3-methylsulfanylcyclopentyl)prop-1-en-2-yl]benzene is sourced from PubChem (CID 20692860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).