1-butan-2-yl-4-fluorobenzene

C10H13F — CID 11829648

IUPAC1-butan-2-yl-4-fluorobenzene
SMILESCCC(C)c1ccc(F)cc1
InChIInChI=1S/C10H13F/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3H2,1-2H3
InChIKeyVADJQCNDAHTNDW-UHFFFAOYSA-N
MW152.21 g/mol
LogP3.34
Rot. Bonds2

About 1-butan-2-yl-4-fluorobenzene

1-butan-2-yl-4-fluorobenzene (PubChem CID 11829648) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is 1-butan-2-yl-4-fluorobenzene.

Molecular Properties

Compound Name1-butan-2-yl-4-fluorobenzene
PubChem CID11829648
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name1-butan-2-yl-4-fluorobenzene
SMILESCCC(C)c1ccc(F)cc1
InChIInChI=1S/C10H13F/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3H2,1-2H3
InChIKeyVADJQCNDAHTNDW-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
CID 118425163
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
1-butan-2-yl-4-(4-fluorophenyl)benzene;phenylmethanamine
CID 70595224
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
1-[(4-butan-2-ylphenyl)-chloromethyl]-2,4-difluorobenzene
CID 63430296
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-bromopentan-2-yl)-4-fluorobenzene
CID 64721249
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-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-fluorobenzene?
The IUPAC name of 1-butan-2-yl-4-fluorobenzene (CID 11829648) is 1-butan-2-yl-4-fluorobenzene.
What is the SMILES notation for 1-butan-2-yl-4-fluorobenzene?
The canonical SMILES for 1-butan-2-yl-4-fluorobenzene is CCC(C)c1ccc(F)cc1.
What is the InChIKey of 1-butan-2-yl-4-fluorobenzene?
The InChIKey is VADJQCNDAHTNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-fluorobenzene?
1-butan-2-yl-4-fluorobenzene has a molecular weight of 152.21 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-fluorobenzene is sourced from PubChem (CID 11829648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).