2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine

C9H17F3N2 — CID 143374848

IUPAC2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine
SMILESCC(F)(CN)C(F)(F)CC1CCNC1
InChIInChI=1S/C9H17F3N2/c1-8(10,6-13)9(11,12)4-7-2-3-14-5-7/h7,14H,2-6,13H2,1H3
InChIKeyAHJHGLHTIZICMZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.31
Rot. Bonds4

About 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine

2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine (PubChem CID 143374848) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine.

Molecular Properties

Compound Name2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine
PubChem CID143374848
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine
SMILESCC(F)(CN)C(F)(F)CC1CCNC1
InChIInChI=1S/C9H17F3N2/c1-8(10,6-13)9(11,12)4-7-2-3-14-5-7/h7,14H,2-6,13H2,1H3
InChIKeyAHJHGLHTIZICMZ-UHFFFAOYSA-N
XLogP1.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431306
O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine
CID 117104669
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
4-(3-fluoro-3-methylbutyl)piperidine
CID 83816497
3-(tert-butylsulfanylmethyl)pyrrolidine
CID 62371966
4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 105480756
3-(2,2-dimethylpropyl)piperidine
CID 21041533
3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine
CID 84674397
(3R)-3-(methylsulfanylmethyl)pyrrolidine
CID 90143250
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine?
The IUPAC name of 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine (CID 143374848) is 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine.
What is the SMILES notation for 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine?
The canonical SMILES for 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine is CC(F)(CN)C(F)(F)CC1CCNC1.
What is the InChIKey of 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine?
The InChIKey is AHJHGLHTIZICMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(10,6-13)9(11,12)4-7-2-3-14-5-7/h7,14H,2-6,13H2,1H3.
What are the key properties of 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine?
2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine has a molecular weight of 210.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine is sourced from PubChem (CID 143374848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).