1-fluoro-3-[(2S)-2-methylbutyl]benzene

C11H15F — CID 125477231

IUPAC1-fluoro-3-[(2S)-2-methylbutyl]benzene
SMILESCC[C@H](C)Cc1cccc(F)c1
InChIInChI=1S/C11H15F/c1-3-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyDGEVKDPATFZNNI-VIFPVBQESA-N
MW166.24 g/mol
LogP3.41
Rot. Bonds3

About 1-fluoro-3-[(2S)-2-methylbutyl]benzene

1-fluoro-3-[(2S)-2-methylbutyl]benzene (PubChem CID 125477231) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-fluoro-3-[(2S)-2-methylbutyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(2S)-2-methylbutyl]benzene
PubChem CID125477231
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name1-fluoro-3-[(2S)-2-methylbutyl]benzene
SMILESCC[C@H](C)Cc1cccc(F)c1
InChIInChI=1S/C11H15F/c1-3-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyDGEVKDPATFZNNI-VIFPVBQESA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
CID 139973435
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319
1-(3-bromo-2-ethylbutyl)-3-fluorobenzene
CID 63471794
2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522096
(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 124882902
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
1-fluoro-3-(2-nitropropyl)benzene
CID 24721350

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(2S)-2-methylbutyl]benzene?
The IUPAC name of 1-fluoro-3-[(2S)-2-methylbutyl]benzene (CID 125477231) is 1-fluoro-3-[(2S)-2-methylbutyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(2S)-2-methylbutyl]benzene?
The canonical SMILES for 1-fluoro-3-[(2S)-2-methylbutyl]benzene is CC[C@H](C)Cc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-[(2S)-2-methylbutyl]benzene?
The InChIKey is DGEVKDPATFZNNI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15F/c1-3-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9H,3,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-fluoro-3-[(2S)-2-methylbutyl]benzene?
1-fluoro-3-[(2S)-2-methylbutyl]benzene has a molecular weight of 166.24 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(2S)-2-methylbutyl]benzene is sourced from PubChem (CID 125477231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).