1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine

C12H14F4N2 — CID 63035988

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2cc(C(F)(F)F)ccc2F)C1
InChIInChI=1S/C12H14F4N2/c1-17-9-4-5-18(7-9)11-6-8(12(14,15)16)2-3-10(11)13/h2-3,6,9,17H,4-5,7H2,1H3
InChIKeyXVNLUGZMIPCYBR-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.64
Rot. Bonds2

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine

1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine (PubChem CID 63035988) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
PubChem CID63035988
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2cc(C(F)(F)F)ccc2F)C1
InChIInChI=1S/C12H14F4N2/c1-17-9-4-5-18(7-9)11-6-8(12(14,15)16)2-3-10(11)13/h2-3,6,9,17H,4-5,7H2,1H3
InChIKeyXVNLUGZMIPCYBR-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 63035987
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine
CID 63036677
2-[3-(methylamino)piperidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 62547609
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylpyrrolidin-3-amine
CID 60862803
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315016
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 54927327
calcium;2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyacetic acid;hydride
CID 173039739
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine
CID 61228821
3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine
CID 107303833
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine (CID 63035988) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine is CNC1CCN(c2cc(C(F)(F)F)ccc2F)C1.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine?
The InChIKey is XVNLUGZMIPCYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c1-17-9-4-5-18(7-9)11-6-8(12(14,15)16)2-3-10(11)13/h2-3,6,9,17H,4-5,7H2,1H3.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine has a molecular weight of 262.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63035988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).