1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine

C10H10ClF2N — CID 117310208

IUPAC1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cc(F)c(F)c(Cl)c2)CCC1
InChIInChI=1S/C10H10ClF2N/c11-7-4-6(5-8(12)9(7)13)10(14)2-1-3-10/h4-5H,1-3,14H2
InChIKeySVFGMMMLNURXTD-UHFFFAOYSA-N
MW217.65 g/mol
LogP2.96
Rot. Bonds1

About 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine

1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine (PubChem CID 117310208) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine
PubChem CID117310208
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cc(F)c(F)c(Cl)c2)CCC1
InChIInChI=1S/C10H10ClF2N/c11-7-4-6(5-8(12)9(7)13)10(14)2-1-3-10/h4-5H,1-3,14H2
InChIKeySVFGMMMLNURXTD-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine
CID 117446827
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline
CID 117112812
1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
CID 84768955
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
1-chloro-2,3-difluoro-5-(1-isocyanatocyclopentyl)benzene
CID 117397392
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine (CID 117310208) is 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine is NC1(c2cc(F)c(F)c(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine?
The InChIKey is SVFGMMMLNURXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-7-4-6(5-8(12)9(7)13)10(14)2-1-3-10/h4-5H,1-3,14H2.
What are the key properties of 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine?
1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine has a molecular weight of 217.65 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 117310208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).