3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide

C9H14F2N2O — CID 131067891

IUPAC3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESO=C(N[C@H]1CCNC1)C1CC(F)(F)C1
InChIInChI=1S/C9H14F2N2O/c10-9(11)3-6(4-9)8(14)13-7-1-2-12-5-7/h6-7,12H,1-5H2,(H,13,14)/t7-/m0/s1
InChIKeyIEOXSIJCKONREB-ZETCQYMHSA-N
MW204.22 g/mol
LogP0.51
Rot. Bonds2

About 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide

3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 131067891) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
PubChem CID131067891
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESO=C(N[C@H]1CCNC1)C1CC(F)(F)C1
InChIInChI=1S/C9H14F2N2O/c10-9(11)3-6(4-9)8(14)13-7-1-2-12-5-7/h6-7,12H,1-5H2,(H,13,14)/t7-/m0/s1
InChIKeyIEOXSIJCKONREB-ZETCQYMHSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-piperidin-3-ylcyclobutane-1-carboxamide
CID 119428759
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide
CID 79688091
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
2,2-dimethyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119030831
N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107172304
3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 130843839
N-piperidin-4-ylazetidine-3-carboxamide
CID 123647317
3-amino-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 130840799
N-[(3R)-pyrrolidin-3-yl]thiolane-3-carboxamide
CID 79689053
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 131067891) is 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide is O=C(N[C@H]1CCNC1)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is IEOXSIJCKONREB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11)3-6(4-9)8(14)13-7-1-2-12-5-7/h6-7,12H,1-5H2,(H,13,14)/t7-/m0/s1.
What are the key properties of 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 204.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 131067891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).