1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine

C15H20F4N2 — CID 120858470

IUPAC1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCC(F)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F4N2/c1-13(2,20)9-21-7-6-14(16,10-21)11-4-3-5-12(8-11)15(17,18)19/h3-5,8H,6-7,9-10,20H2,1-2H3
InChIKeyFDKDAEFOZBQXLZ-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.31
Rot. Bonds3

About 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine

1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine (PubChem CID 120858470) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine
PubChem CID120858470
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCC(F)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F4N2/c1-13(2,20)9-21-7-6-14(16,10-21)11-4-3-5-12(8-11)15(17,18)19/h3-5,8H,6-7,9-10,20H2,1-2H3
InChIKeyFDKDAEFOZBQXLZ-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide
CID 100744576
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 112562450
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 59438498
2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid
CID 115050759
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
2-chloro-1-[4-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 174485792
tert-butyl 4-(acetyloxymethyl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 91320906
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 103728549
2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine
CID 115059013

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine (CID 120858470) is 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine is CC(C)(N)CN1CCC(F)(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine?
The InChIKey is FDKDAEFOZBQXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-13(2,20)9-21-7-6-14(16,10-21)11-4-3-5-12(8-11)15(17,18)19/h3-5,8H,6-7,9-10,20H2,1-2H3.
What are the key properties of 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine?
1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine has a molecular weight of 304.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 120858470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).