N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide

C6H10F2N2O — CID 174875699

IUPACN-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide
SMILESCN1CC(F)(F)C[C@H]1NC=O
InChIInChI=1S/C6H10F2N2O/c1-10-3-6(7,8)2-5(10)9-4-11/h4-5H,2-3H2,1H3,(H,9,11)/t5-/m0/s1
InChIKeyXBEMFSKKFHCTRJ-YFKPBYRVSA-N
MW164.16 g/mol
LogP0.03
Rot. Bonds2

About N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide

N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide (PubChem CID 174875699) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide
PubChem CID174875699
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC NameN-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide
SMILESCN1CC(F)(F)C[C@H]1NC=O
InChIInChI=1S/C6H10F2N2O/c1-10-3-6(7,8)2-5(10)9-4-11/h4-5H,2-3H2,1H3,(H,9,11)/t5-/m0/s1
InChIKeyXBEMFSKKFHCTRJ-YFKPBYRVSA-N
XLogP0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)formamide
CID 134260412
4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine
CID 176557306
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
CID 54232552
(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol;tungsten
CID 170766869
methane;N-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)formamide
CID 143936298
(4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane
CID 164904665
5,5-difluoro-1-methylpiperidin-3-ol
CID 130890639
N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide
CID 144845305
4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane
CID 176568094
2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane
CID 177157431
N-[(3,3-difluorocyclobutyl)methyl]formamide
CID 130859227
N-(2-formamido-2-methylcyclopropyl)formamide
CID 174912967

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide?
The IUPAC name of N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide (CID 174875699) is N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide?
The canonical SMILES for N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide is CN1CC(F)(F)C[C@H]1NC=O.
What is the InChIKey of N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide?
The InChIKey is XBEMFSKKFHCTRJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-10-3-6(7,8)2-5(10)9-4-11/h4-5H,2-3H2,1H3,(H,9,11)/t5-/m0/s1.
What are the key properties of N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide?
N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide has a molecular weight of 164.16 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]formamide is sourced from PubChem (CID 174875699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).