1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

C18H26F2O2S — CID 159613987

IUPAC1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2c(F)cccc2F)CC1
InChIInChI=1S/C18H26F2O2S/c1-13(2)23(21,22)12-15-8-6-14(7-9-15)10-11-16-17(19)4-3-5-18(16)20/h3-5,13-15H,6-12H2,1-2H3
InChIKeyXLWCCGOBDKCAKQ-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.53
Rot. Bonds6

About 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (PubChem CID 159613987) has the molecular formula C18H26F2O2S and a molecular weight of 344.47 g/mol. Its IUPAC name is 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
PubChem CID159613987
Molecular FormulaC18H26F2O2S
Molecular Weight344.47 g/mol
Exact Mass344.16
IUPAC Name1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2c(F)cccc2F)CC1
InChIInChI=1S/C18H26F2O2S/c1-13(2)23(21,22)12-15-8-6-14(7-9-15)10-11-16-17(19)4-3-5-18(16)20/h3-5,13-15H,6-12H2,1-2H3
InChIKeyXLWCCGOBDKCAKQ-UHFFFAOYSA-N
XLogP4.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 160603486
1,3-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 54557681
3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
CID 59545342
1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 161260281
N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine
CID 159384134
(3R,5R)-3,5-dimethyl-1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine
CID 157456647
(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine
CID 158176073
2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 160733134
2-[4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperazin-1-yl]pyrimidine
CID 158496312
1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole
CID 59231417
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26411785
1-methoxy-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]dibenzofuran
CID 161260282

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (CID 159613987) is 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is CC(C)S(=O)(=O)CC1CCC(CCc2c(F)cccc2F)CC1.
What is the InChIKey of 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The InChIKey is XLWCCGOBDKCAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2O2S/c1-13(2)23(21,22)12-15-8-6-14(7-9-15)10-11-16-17(19)4-3-5-18(16)20/h3-5,13-15H,6-12H2,1-2H3.
What are the key properties of 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene has a molecular weight of 344.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 159613987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).