1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene

C11H14ClF — CID 147465889

IUPAC1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene
SMILESCC(C)[C@H](C)c1cccc(Cl)c1F
InChIInChI=1S/C11H14ClF/c1-7(2)8(3)9-5-4-6-10(12)11(9)13/h4-8H,1-3H3/t8-/m0/s1
InChIKeyFAUQQFMSIUYMGN-QMMMGPOBSA-N
MW200.68 g/mol
LogP4.24
Rot. Bonds2

About 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene

1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene (PubChem CID 147465889) has the molecular formula C11H14ClF and a molecular weight of 200.68 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene
PubChem CID147465889
Molecular FormulaC11H14ClF
Molecular Weight200.68 g/mol
Exact Mass200.08
IUPAC Name1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene
SMILESCC(C)[C@H](C)c1cccc(Cl)c1F
InChIInChI=1S/C11H14ClF/c1-7(2)8(3)9-5-4-6-10(12)11(9)13/h4-8H,1-3H3/t8-/m0/s1
InChIKeyFAUQQFMSIUYMGN-QMMMGPOBSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.68
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
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1-(3-chloro-2-fluorophenyl)-N-methylethanamine
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1-chloro-2-fluoro-3-[(2R)-4-iodobutan-2-yl]benzene
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1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
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4-(3-chloro-2-fluorophenyl)-4-hydroxy-2-methylbutanoic acid
CID 114488545
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
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(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene?
The IUPAC name of 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene (CID 147465889) is 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene is CC(C)[C@H](C)c1cccc(Cl)c1F.
What is the InChIKey of 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene?
The InChIKey is FAUQQFMSIUYMGN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClF/c1-7(2)8(3)9-5-4-6-10(12)11(9)13/h4-8H,1-3H3/t8-/m0/s1.
What are the key properties of 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene?
1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene has a molecular weight of 200.68 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene is sourced from PubChem (CID 147465889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).