(3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C7H11F3N2O — CID 67293912

IUPAC(3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)4-12-6(13)5-1-2-11-3-5/h5,11H,1-4H2,(H,12,13)/t5-/m0/s1
InChIKeyGZUYLFMBSAAMAO-YFKPBYRVSA-N
MW196.17 g/mol
LogP0.27
Rot. Bonds2

About (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 67293912) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID67293912
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name(3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)4-12-6(13)5-1-2-11-3-5/h5,11H,1-4H2,(H,12,13)/t5-/m0/s1
InChIKeyGZUYLFMBSAAMAO-YFKPBYRVSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Oxopyrrolidine-3-carboxamide
CID 3528514
4-(Aminomethyl)pyrrolidin-2-one
CID 19757933
N-Methylpyrrolidine-3-carboxamide
CID 23090433
4-(Aminomethyl)pyrrolidin-2-one hydrochloride
CID 67126653
3,3-Difluoropyrrolidin-2-one
CID 45092489
3-(Aminomethyl)pyrrolidin-2-one
CID 19694998
(3R)-N-methylpyrrolidine-3-carboxamide
CID 28280630
Pyrrolidine-3-carboxamide hydrochloride
CID 50988639
4-((Dimethylamino)methyl)pyrrolidin-2-one
CID 59591617
4-(Trifluoromethyl)pyrrolidin-2-one
CID 67195107
4-(Difluoromethyl)pyrrolidin-2-one
CID 67253829
(S)-Pyrrolidine-3-carboxamide hydrochloride
CID 68627577

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 67293912) is (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCC(F)(F)F)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is GZUYLFMBSAAMAO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)4-12-6(13)5-1-2-11-3-5/h5,11H,1-4H2,(H,12,13)/t5-/m0/s1.
What are the key properties of (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 67293912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).