N-methyl-N-(trifluoromethyl)cyclopropanamine

C5H8F3N — CID 20505660

IUPACN-methyl-N-(trifluoromethyl)cyclopropanamine
SMILESCN(C1CC1)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-9(4-2-3-4)5(6,7)8/h4H,2-3H2,1H3
InChIKeyFHGXETUASJPAAQ-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.60
Rot. Bonds1

About N-methyl-N-(trifluoromethyl)cyclopropanamine

N-methyl-N-(trifluoromethyl)cyclopropanamine (PubChem CID 20505660) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethyl)cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethyl)cyclopropanamine
PubChem CID20505660
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC NameN-methyl-N-(trifluoromethyl)cyclopropanamine
SMILESCN(C1CC1)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-9(4-2-3-4)5(6,7)8/h4H,2-3H2,1H3
InChIKeyFHGXETUASJPAAQ-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-Isopropyl-N-(trifluoromethyl)-2-propanamine
CID 15105666
N-(difluoromethyl)-N-propan-2-ylpropan-2-amine
CID 10441872
1-Methyl-2-(trifluoromethyl)aziridine
CID 14965861
N-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 58378547
N-ethyl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 59706174
N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 68918802
N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 68969284
N-iodo-N-(trifluoromethyl)cyclopropanamine
CID 87498789
(2R)-N-methyl-N-(trifluoromethyl)butan-2-amine
CID 88866203
(2S)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine
CID 88974867
(2R)-1-methyl-2-(2,2,2-trifluoroethyl)aziridine
CID 88974868
1,1,1-trifluoro-N,N-dimethylbutan-2-amine
CID 88991095

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trifluoromethyl)cyclopropanamine?
The IUPAC name of N-methyl-N-(trifluoromethyl)cyclopropanamine (CID 20505660) is N-methyl-N-(trifluoromethyl)cyclopropanamine.
What is the SMILES notation for N-methyl-N-(trifluoromethyl)cyclopropanamine?
The canonical SMILES for N-methyl-N-(trifluoromethyl)cyclopropanamine is CN(C1CC1)C(F)(F)F.
What is the InChIKey of N-methyl-N-(trifluoromethyl)cyclopropanamine?
The InChIKey is FHGXETUASJPAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c1-9(4-2-3-4)5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of N-methyl-N-(trifluoromethyl)cyclopropanamine?
N-methyl-N-(trifluoromethyl)cyclopropanamine has a molecular weight of 139.12 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethyl)cyclopropanamine is sourced from PubChem (CID 20505660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).