2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene

C13H16ClF — CID 142422134

IUPAC2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene
SMILESCC(C)C1CC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H16ClF/c1-8(2)10-5-11(6-10)9-3-4-13(15)12(14)7-9/h3-4,7-8,10-11H,5-6H2,1-2H3
InChIKeyYGHMTRCEBMFGFM-UHFFFAOYSA-N
MW226.72 g/mol
LogP4.63
Rot. Bonds2

About 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene

2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene (PubChem CID 142422134) has the molecular formula C13H16ClF and a molecular weight of 226.72 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene
PubChem CID142422134
Molecular FormulaC13H16ClF
Molecular Weight226.72 g/mol
Exact Mass226.09
IUPAC Name2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene
SMILESCC(C)C1CC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H16ClF/c1-8(2)10-5-11(6-10)9-3-4-13(15)12(14)7-9/h3-4,7-8,10-11H,5-6H2,1-2H3
InChIKeyYGHMTRCEBMFGFM-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498696
4-[2-(bromomethyl)cyclopropyl]-2-chloro-1-fluorobenzene
CID 81351147
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine
CID 156864641
3-(3-chloro-4-fluorophenyl)-2-methylcyclobutan-1-one
CID 81418582
2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 67610570
(2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine
CID 141326883
4-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 81157096
8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine
CID 142308104
(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 131864185
3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
CID 81165667
1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene
CID 174276032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene (CID 142422134) is 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene is CC(C)C1CC(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene?
The InChIKey is YGHMTRCEBMFGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF/c1-8(2)10-5-11(6-10)9-3-4-13(15)12(14)7-9/h3-4,7-8,10-11H,5-6H2,1-2H3.
What are the key properties of 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene?
2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene has a molecular weight of 226.72 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene is sourced from PubChem (CID 142422134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).