1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene

C18H11ClF8 — CID 130290937

IUPAC1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene
SMILESCc1ccc(/C(F)=C/C(c2ccc(Cl)c(F)c2)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C18H11ClF8/c1-9-2-3-11(6-12(9)17(22,23)24)15(20)8-13(18(25,26)27)10-4-5-14(19)16(21)7-10/h2-8,13H,1H3/b15-8-
InChIKeyNMAYKMBUYWVDMF-NVNXTCNLSA-N
MW414.72 g/mol
LogP7.46
Rot. Bonds3

About 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene

1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene (PubChem CID 130290937) has the molecular formula C18H11ClF8 and a molecular weight of 414.72 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene
PubChem CID130290937
Molecular FormulaC18H11ClF8
Molecular Weight414.72 g/mol
Exact Mass414.04
IUPAC Name1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene
SMILESCc1ccc(/C(F)=C/C(c2ccc(Cl)c(F)c2)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C18H11ClF8/c1-9-2-3-11(6-12(9)17(22,23)24)15(20)8-13(18(25,26)27)10-4-5-14(19)16(21)7-10/h2-8,13H,1H3/b15-8-
InChIKeyNMAYKMBUYWVDMF-NVNXTCNLSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene?
The IUPAC name of 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene (CID 130290937) is 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene is Cc1ccc(/C(F)=C/C(c2ccc(Cl)c(F)c2)C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene?
The InChIKey is NMAYKMBUYWVDMF-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H11ClF8/c1-9-2-3-11(6-12(9)17(22,23)24)15(20)8-13(18(25,26)27)10-4-5-14(19)16(21)7-10/h2-8,13H,1H3/b15-8-.
What are the key properties of 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene?
1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene has a molecular weight of 414.72 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-[(Z)-1,1,1,4-tetrafluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene is sourced from PubChem (CID 130290937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).