(3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C12H14F4N2 — CID 162594715

IUPAC(3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C12H14F4N2/c13-9-3-1-8(2-4-9)10-5-18(6-11(10)17)7-12(14,15)16/h1-4,10-11H,5-7,17H2/t10-,11+/m0/s1
InChIKeyOWIIVQUBYFSBOG-WDEREUQCSA-N
MW262.25 g/mol
LogP2.11
Rot. Bonds2

About (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

(3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 162594715) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID162594715
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name(3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C12H14F4N2/c13-9-3-1-8(2-4-9)10-5-18(6-11(10)17)7-12(14,15)16/h1-4,10-11H,5-7,17H2/t10-,11+/m0/s1
InChIKeyOWIIVQUBYFSBOG-WDEREUQCSA-N
XLogP2.11
TPSA29.26 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(3-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 118128580
(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769959
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553
(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 139593254
(3S,4R)-1-[(2-bromo-4-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761348
(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 144825309
(3S,4R)-1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769834
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 120761724
(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
CID 146550494
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine
CID 141470571

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 162594715) is (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is OWIIVQUBYFSBOG-WDEREUQCSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-9-3-1-8(2-4-9)10-5-18(6-11(10)17)7-12(14,15)16/h1-4,10-11H,5-7,17H2/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
(3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 262.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 162594715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).