(2S)-4,4-difluoropyrrolidine-2-carboxamide

C5H8F2N2O — CID 42553070

IUPAC(2S)-4,4-difluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C5H8F2N2O/c6-5(7)1-3(4(8)10)9-2-5/h3,9H,1-2H2,(H2,8,10)/t3-/m0/s1
InChIKeyMVEDZPQIZLYLLT-VKHMYHEASA-N
MW150.13 g/mol
LogP-0.53
Rot. Bonds1

About (2S)-4,4-difluoropyrrolidine-2-carboxamide

(2S)-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 42553070) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is (2S)-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID42553070
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name(2S)-4,4-difluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C5H8F2N2O/c6-5(7)1-3(4(8)10)9-2-5/h3,9H,1-2H2,(H2,8,10)/t3-/m0/s1
InChIKeyMVEDZPQIZLYLLT-VKHMYHEASA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Prolinamide
CID 111306
Pyrrolidine-2-carboxamide
CID 550774
(2S)-N-methylpyrrolidine-2-carboxamide
CID 10374482
Prolinamide, D-
CID 447554
(2S)-N-methylpyrrolidine-2-carboxamide hydrochloride
CID 18664331
(2S)-N,N-dimethylpyrrolidine-2-carboxamide
CID 7408249
(S)-Pyrrolidine-2-carboxamide monohydrochloride
CID 12707183
N-methylpyrrolidine-2-carboxamide
CID 14073003
(2S)-2-carbamoylpyrrolidin-1-ium
CID 6950540
Prolylglycinamide
CID 3013627
Pyrrolidine-2-carboxamide hydrochloride
CID 3016353
N,N-dimethylpyrrolidine-2-carboxamide hydrochloride
CID 21914726

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4,4-difluoropyrrolidine-2-carboxamide (CID 42553070) is (2S)-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4,4-difluoropyrrolidine-2-carboxamide is NC(=O)[C@@H]1CC(F)(F)CN1.
What is the InChIKey of (2S)-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is MVEDZPQIZLYLLT-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8F2N2O/c6-5(7)1-3(4(8)10)9-2-5/h3,9H,1-2H2,(H2,8,10)/t3-/m0/s1.
What are the key properties of (2S)-4,4-difluoropyrrolidine-2-carboxamide?
(2S)-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 150.13 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 42553070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).