1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene

C16H11ClF6 — CID 14985084

IUPAC1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene
SMILESCc1ccc(C(c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF6/c1-10-2-4-11(5-3-10)14(15(18,19)20,16(21,22)23)12-6-8-13(17)9-7-12/h2-9H,1H3
InChIKeyHPDCEETWTSKCPV-UHFFFAOYSA-N
MW352.71 g/mol
LogP6.06
Rot. Bonds2

About 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene

1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 14985084) has the molecular formula C16H11ClF6 and a molecular weight of 352.71 g/mol. Its IUPAC name is 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID14985084
Molecular FormulaC16H11ClF6
Molecular Weight352.71 g/mol
Exact Mass352.05
IUPAC Name1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene
SMILESCc1ccc(C(c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF6/c1-10-2-4-11(5-3-10)14(15(18,19)20,16(21,22)23)12-6-8-13(17)9-7-12/h2-9H,1H3
InChIKeyHPDCEETWTSKCPV-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.71
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene
CID 143291553
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[1-(4-methylphenyl)-1-phenylethyl]benzene
CID 158299637
1-chloro-4-methylbenzene;zinc
CID 174694335
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 58986519
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1-bromo-4-(4-bromophenoxy)benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 91234372
(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone
CID 91292573
1-methyl-4-[2,2,4-trifluoro-4-methyl-3-(4-methylphenyl)pentan-3-yl]benzene
CID 131994579
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
1-chloro-4-methylbenzene;formic acid
CID 158103199

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene (CID 14985084) is 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene is Cc1ccc(C(c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is HPDCEETWTSKCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6/c1-10-2-4-11(5-3-10)14(15(18,19)20,16(21,22)23)12-6-8-13(17)9-7-12/h2-9H,1H3.
What are the key properties of 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene?
1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 352.71 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 14985084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).