1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine

C10H10ClF2N — CID 117310218

IUPAC1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine
SMILESNC1(c2ccc(F)c(F)c2Cl)CCC1
InChIInChI=1S/C10H10ClF2N/c11-8-6(10(14)4-1-5-10)2-3-7(12)9(8)13/h2-3H,1,4-5,14H2
InChIKeyALJGSVSDOGHMAX-UHFFFAOYSA-N
MW217.65 g/mol
LogP2.96
Rot. Bonds1

About 1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine

1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine (PubChem CID 117310218) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is 1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine
PubChem CID117310218
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine
SMILESNC1(c2ccc(F)c(F)c2Cl)CCC1
InChIInChI=1S/C10H10ClF2N/c11-8-6(10(14)4-1-5-10)2-3-7(12)9(8)13/h2-3H,1,4-5,14H2
InChIKeyALJGSVSDOGHMAX-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-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine
CID 84777571
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946
1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine
CID 117330937
2-(1-aminocyclobutyl)-5-chlorophenol
CID 82607167
4-(1-aminocyclobutyl)-3-fluoroaniline
CID 83412510
3-(1-aminocyclopentyl)-6-fluorobenzene-1,2-diol
CID 117301232
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426
3-(1-aminocyclohexyl)-6-fluorobenzene-1,2-diol
CID 117323320
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84801370
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine (CID 117310218) is 1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine is NC1(c2ccc(F)c(F)c2Cl)CCC1.
What is the InChIKey of 1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine?
The InChIKey is ALJGSVSDOGHMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-8-6(10(14)4-1-5-10)2-3-7(12)9(8)13/h2-3H,1,4-5,14H2.
What are the key properties of 1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine?
1-(2-chloro-3,4-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-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 117310218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).