1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene

C19H19ClF2O — CID 71248552

IUPAC1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene
SMILESCOc1ccc(C2(c3ccccc3Cl)CCC(F)(F)CC2)cc1
InChIInChI=1S/C19H19ClF2O/c1-23-15-8-6-14(7-9-15)18(10-12-19(21,22)13-11-18)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3
InChIKeyNRRSZLYUQQSNEZ-UHFFFAOYSA-N
MW336.81 g/mol
LogP5.84
Rot. Bonds3

About 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene

1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene (PubChem CID 71248552) has the molecular formula C19H19ClF2O and a molecular weight of 336.81 g/mol. Its IUPAC name is 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene
PubChem CID71248552
Molecular FormulaC19H19ClF2O
Molecular Weight336.81 g/mol
Exact Mass336.11
IUPAC Name1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene
SMILESCOc1ccc(C2(c3ccccc3Cl)CCC(F)(F)CC2)cc1
InChIInChI=1S/C19H19ClF2O/c1-23-15-8-6-14(7-9-15)18(10-12-19(21,22)13-11-18)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3
InChIKeyNRRSZLYUQQSNEZ-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.81
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorotrianisene
CID 11289
1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)
CID 96831
Propane, 2,2-bis(p-methoxyphenyl)-1,3-dichloro-
CID 417356
1~4~-Ethyl-3~4~-(trifluoromethoxy)-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 604782
4,4',4''-Trimethoxytrityl chloride
CID 630505
1,1-Di-(4-methoxyphenyl)-1-[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]methyl chloride
CID 11556836
2-(2,6-Dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10216788
2-(2-Chlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10309756
1-(4-Methoxyphenyl)-1-[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]-1-phenylmethyl chloride
CID 16218243
p-(Chlorodiphenylmethyl)anisole
CID 84462
1-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 15578704
(1S,4R)-4-Propyl-4'-(4-(trifluoromethoxy)phenyl)-1,1'-bi(cyclohexane)
CID 604781

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene?
The IUPAC name of 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene (CID 71248552) is 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene?
The canonical SMILES for 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene is COc1ccc(C2(c3ccccc3Cl)CCC(F)(F)CC2)cc1.
What is the InChIKey of 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene?
The InChIKey is NRRSZLYUQQSNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2O/c1-23-15-8-6-14(7-9-15)18(10-12-19(21,22)13-11-18)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3.
What are the key properties of 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene?
1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene has a molecular weight of 336.81 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene is sourced from PubChem (CID 71248552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).