[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine

C10H10ClF2N — CID 117310225

IUPAC[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2cc(F)c(F)cc2Cl)CC1
InChIInChI=1S/C10H10ClF2N/c11-7-4-9(13)8(12)3-6(7)10(5-14)1-2-10/h3-4H,1-2,5,14H2
InChIKeyFYIWTKJNCOBSNO-UHFFFAOYSA-N
MW217.65 g/mol
LogP2.61
Rot. Bonds2

About [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine

[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine (PubChem CID 117310225) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
PubChem CID117310225
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2cc(F)c(F)cc2Cl)CC1
InChIInChI=1S/C10H10ClF2N/c11-7-4-9(13)8(12)3-6(7)10(5-14)1-2-10/h3-4H,1-2,5,14H2
InChIKeyFYIWTKJNCOBSNO-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
CID 84791909
[1-(4-chloro-2,6-difluorophenyl)cyclopropyl]methanamine
CID 117310224
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
CID 117441687
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
CID 117397912
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117370184
[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol
CID 116963511

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine (CID 117310225) is [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine is NCC1(c2cc(F)c(F)cc2Cl)CC1.
What is the InChIKey of [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine?
The InChIKey is FYIWTKJNCOBSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-7-4-9(13)8(12)3-6(7)10(5-14)1-2-10/h3-4H,1-2,5,14H2.
What are the key properties of [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine?
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine has a molecular weight of 217.65 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117310225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).