3-fluorobutan-2-ylbenzene

C10H13F — CID 159211068

IUPAC3-fluorobutan-2-ylbenzene
SMILESCC(F)C(C)c1ccccc1
InChIInChI=1S/C10H13F/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyXRBOBVPIGQHWAX-UHFFFAOYSA-N
MW152.21 g/mol
LogP3.15
Rot. Bonds2

About 3-fluorobutan-2-ylbenzene

3-fluorobutan-2-ylbenzene (PubChem CID 159211068) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is 3-fluorobutan-2-ylbenzene.

Molecular Properties

Compound Name3-fluorobutan-2-ylbenzene
PubChem CID159211068
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name3-fluorobutan-2-ylbenzene
SMILESCC(F)C(C)c1ccccc1
InChIInChI=1S/C10H13F/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyXRBOBVPIGQHWAX-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
(2R,3R)-2-fluoro-3-phenylbutanal
CID 134987463
1,1-diphenylpropan-2-ylbenzene
CID 3664636
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093
2-fluoro-3-phenylbutan-1-amine
CID 126843894
(3S,4S)-3-fluoro-4-phenylpentan-1-amine
CID 102430621
2-fluoro-3-hydroxy-4-phenylpentanoic acid
CID 79366366
1-phenylethylbenzene
CID 142851428
cumene
CID 161227923
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918
[fluoro(fluoro)methyl]benzene
CID 146164458

Frequently Asked Questions

What is the IUPAC name of 3-fluorobutan-2-ylbenzene?
The IUPAC name of 3-fluorobutan-2-ylbenzene (CID 159211068) is 3-fluorobutan-2-ylbenzene.
What is the SMILES notation for 3-fluorobutan-2-ylbenzene?
The canonical SMILES for 3-fluorobutan-2-ylbenzene is CC(F)C(C)c1ccccc1.
What is the InChIKey of 3-fluorobutan-2-ylbenzene?
The InChIKey is XRBOBVPIGQHWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 3-fluorobutan-2-ylbenzene?
3-fluorobutan-2-ylbenzene has a molecular weight of 152.21 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutan-2-ylbenzene is sourced from PubChem (CID 159211068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).