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

C10H10F3N — CID 75366182

IUPAC[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C10H10F3N/c11-7-2-1-6(8(12)9(7)13)10(5-14)3-4-10/h1-2H,3-5,14H2
InChIKeyLGFRAMQTSDWHFU-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.09
Rot. Bonds2

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

[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine (PubChem CID 75366182) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is [1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
PubChem CID75366182
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C10H10F3N/c11-7-2-1-6(8(12)9(7)13)10(5-14)3-4-10/h1-2H,3-5,14H2
InChIKeyLGFRAMQTSDWHFU-UHFFFAOYSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.09
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-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline
CID 117047234
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 75537413
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine
CID 117331513
[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117370184
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
methyl 4-[1-(aminomethyl)cyclopropyl]-3-fluorobenzoate
CID 117319477
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine (CID 75366182) is [1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine is NCC1(c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of [1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine?
The InChIKey is LGFRAMQTSDWHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-7-2-1-6(8(12)9(7)13)10(5-14)3-4-10/h1-2H,3-5,14H2.
What are the key properties of [1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine?
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine has a molecular weight of 201.19 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 75366182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).