[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine

C10H9ClF3N — CID 117343836

IUPAC[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2c(F)cc(F)c(Cl)c2F)CC1
InChIInChI=1S/C10H9ClF3N/c11-8-6(13)3-5(12)7(9(8)14)10(4-15)1-2-10/h3H,1-2,4,15H2
InChIKeyGKVYCEOLSHVTMT-UHFFFAOYSA-N
MW235.64 g/mol
LogP2.75
Rot. Bonds2

About [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine

[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine (PubChem CID 117343836) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
PubChem CID117343836
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2c(F)cc(F)c(Cl)c2F)CC1
InChIInChI=1S/C10H9ClF3N/c11-8-6(13)3-5(12)7(9(8)14)10(4-15)1-2-10/h3H,1-2,4,15H2
InChIKeyGKVYCEOLSHVTMT-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[1-(4-chloro-2,6-difluorophenyl)cyclopropyl]methanamine
CID 117310224
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
CID 117492969
[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301
[1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine
CID 117113496
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 117304722
[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine
CID 117446810
3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol
CID 84784370
4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
CID 84791406
2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline
CID 117047234

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine (CID 117343836) is [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine is NCC1(c2c(F)cc(F)c(Cl)c2F)CC1.
What is the InChIKey of [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine?
The InChIKey is GKVYCEOLSHVTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-8-6(13)3-5(12)7(9(8)14)10(4-15)1-2-10/h3H,1-2,4,15H2.
What are the key properties of [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine?
[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine has a molecular weight of 235.64 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117343836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).