(2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine

C8H15F3N2 — CID 178196567

IUPAC(2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](N)[C@H]1C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-5(2)13-4-3-6(12)7(13)8(9,10)11/h5-7H,3-4,12H2,1-2H3/t6-,7-/m0/s1
InChIKeyQNMUTQRDDILRTR-BQBZGAKWSA-N
MW196.22 g/mol
LogP1.36
Rot. Bonds1

About (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine

(2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 178196567) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID178196567
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name(2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](N)[C@H]1C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-5(2)13-4-3-6(12)7(13)8(9,10)11/h5-7H,3-4,12H2,1-2H3/t6-,7-/m0/s1
InChIKeyQNMUTQRDDILRTR-BQBZGAKWSA-N
XLogP1.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine (CID 178196567) is (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine is CC(C)N1CC[C@H](N)[C@H]1C(F)(F)F.
What is the InChIKey of (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is QNMUTQRDDILRTR-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-5(2)13-4-3-6(12)7(13)8(9,10)11/h5-7H,3-4,12H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine?
(2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 196.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 178196567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).