1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene

C19H21FS — CID 134849357

IUPAC1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene
SMILESFc1ccc([C@H](SC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21FS/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)21-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18-19H,2,5-6,9-10H2/t19-/m1/s1
InChIKeyBQUGIQKAGHBHBV-LJQANCHMSA-N
MW300.44 g/mol
LogP5.98
Rot. Bonds4

About 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene

1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene (PubChem CID 134849357) has the molecular formula C19H21FS and a molecular weight of 300.44 g/mol. Its IUPAC name is 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene
PubChem CID134849357
Molecular FormulaC19H21FS
Molecular Weight300.44 g/mol
Exact Mass300.13
IUPAC Name1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene
SMILESFc1ccc([C@H](SC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21FS/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)21-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18-19H,2,5-6,9-10H2/t19-/m1/s1
InChIKeyBQUGIQKAGHBHBV-LJQANCHMSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[cyclopentylsulfanyl(phenyl)methyl]benzene
CID 66910804
1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene
CID 134849362
3-benzhydrylsulfanyl-1-ethylpiperidine
CID 154215417
3-[cyclohexylsulfanyl(phenyl)methyl]-4-hydroxychromen-2-one
CID 54714083
2-cyclohexylsulfanyl-1-phenylbutan-1-amine
CID 64632648
2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide
CID 59097036
2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one
CID 55025258
2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine
CID 64628614
4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
(R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol
CID 25149558
(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol
CID 46211076
1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019688

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene (CID 134849357) is 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene is Fc1ccc([C@H](SC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene?
The InChIKey is BQUGIQKAGHBHBV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21FS/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)21-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18-19H,2,5-6,9-10H2/t19-/m1/s1.
What are the key properties of 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene?
1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene has a molecular weight of 300.44 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 134849357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).