1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene

C13H19F — CID 118425163

IUPAC1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
SMILESCCC(C)C[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H19F/c1-4-10(2)9-11(3)12-5-7-13(14)8-6-12/h5-8,10-11H,4,9H2,1-3H3/t10?,11-/m0/s1
InChIKeyFLYSYGZSVDRPSD-DTIOYNMSSA-N
MW194.29 g/mol
LogP4.37
Rot. Bonds4

About 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene

1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene (PubChem CID 118425163) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
PubChem CID118425163
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
SMILESCCC(C)C[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H19F/c1-4-10(2)9-11(3)12-5-7-13(14)8-6-12/h5-8,10-11H,4,9H2,1-3H3/t10?,11-/m0/s1
InChIKeyFLYSYGZSVDRPSD-DTIOYNMSSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 11829648
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2-(4-fluorophenyl)-4-methylhexan-1-amine
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1-(4-bromopentan-2-yl)-4-fluorobenzene
CID 64721249
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79437531
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
1-fluoro-4-pent-4-yn-2-ylbenzene
CID 83930939
tris[2-(4-fluorophenyl)propyl]alumane;hydrate
CID 141059383
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene (CID 118425163) is 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene is CCC(C)C[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene?
The InChIKey is FLYSYGZSVDRPSD-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H19F/c1-4-10(2)9-11(3)12-5-7-13(14)8-6-12/h5-8,10-11H,4,9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene?
1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene has a molecular weight of 194.29 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene is sourced from PubChem (CID 118425163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).