1-butan-2-yl-4-chloro-2-fluorobenzene

C10H12ClF — CID 54159004

IUPAC1-butan-2-yl-4-chloro-2-fluorobenzene
SMILESCCC(C)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClF/c1-3-7(2)9-5-4-8(11)6-10(9)12/h4-7H,3H2,1-2H3
InChIKeyNKMJAZRNEKAKPU-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.99
Rot. Bonds2

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

1-butan-2-yl-4-chloro-2-fluorobenzene (PubChem CID 54159004) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 1-butan-2-yl-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-butan-2-yl-4-chloro-2-fluorobenzene
PubChem CID54159004
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name1-butan-2-yl-4-chloro-2-fluorobenzene
SMILESCCC(C)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClF/c1-3-7(2)9-5-4-8(11)6-10(9)12/h4-7H,3H2,1-2H3
InChIKeyNKMJAZRNEKAKPU-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-2-fluoro-4-methylbenzene;ethane
CID 165138554
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene
CID 170404987
methyl 3-(4-chloro-2-fluorophenyl)butanoate
CID 171372756
1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
CID 174572103
1-butan-2-yl-2,4-dichloro-5-fluorobenzene
CID 118487381
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933
2-(butan-2-ylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
CID 114843756
1-(4-chloro-2-fluorophenyl)-2-ethoxybutan-1-amine
CID 116716265

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-chloro-2-fluorobenzene?
The IUPAC name of 1-butan-2-yl-4-chloro-2-fluorobenzene (CID 54159004) is 1-butan-2-yl-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-butan-2-yl-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-butan-2-yl-4-chloro-2-fluorobenzene is CCC(C)c1ccc(Cl)cc1F.
What is the InChIKey of 1-butan-2-yl-4-chloro-2-fluorobenzene?
The InChIKey is NKMJAZRNEKAKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-3-7(2)9-5-4-8(11)6-10(9)12/h4-7H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-chloro-2-fluorobenzene?
1-butan-2-yl-4-chloro-2-fluorobenzene has a molecular weight of 186.66 g/mol, XLogP of 3.99, 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-chloro-2-fluorobenzene is sourced from PubChem (CID 54159004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).