2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

C19H29FO2S — CID 160603486

IUPAC2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCc1ccc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)cc1F
InChIInChI=1S/C19H29FO2S/c1-14(2)23(21,22)13-18-10-7-16(8-11-18)6-9-17-5-4-15(3)19(20)12-17/h4-5,12,14,16,18H,6-11,13H2,1-3H3
InChIKeyQAEPELSHSMMVLG-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.70
Rot. Bonds6

About 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (PubChem CID 160603486) has the molecular formula C19H29FO2S and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
PubChem CID160603486
Molecular FormulaC19H29FO2S
Molecular Weight340.50 g/mol
Exact Mass340.19
IUPAC Name2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCc1ccc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)cc1F
InChIInChI=1S/C19H29FO2S/c1-14(2)23(21,22)13-18-10-7-16(8-11-18)6-9-17-5-4-15(3)19(20)12-17/h4-5,12,14,16,18H,6-11,13H2,1-3H3
InChIKeyQAEPELSHSMMVLG-UHFFFAOYSA-N
XLogP4.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58143982
1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159613987
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
CID 159128494
4-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-2-fluoro-1-methylbenzene
CID 59545823
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
1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159200457
(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
5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
CID 167149931
4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene
CID 19987944

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (CID 160603486) is 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is Cc1ccc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The InChIKey is QAEPELSHSMMVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FO2S/c1-14(2)23(21,22)13-18-10-7-16(8-11-18)6-9-17-5-4-15(3)19(20)12-17/h4-5,12,14,16,18H,6-11,13H2,1-3H3.
What are the key properties of 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene has a molecular weight of 340.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 160603486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).