(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide

C12H17F2NO — CID 129348874

IUPAC(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NC[C@@H]1CC12CC2)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C12H17F2NO/c13-12(14)2-1-8(5-12)10(16)15-7-9-6-11(9)3-4-11/h8-9H,1-7H2,(H,15,16)/t8-,9-/m0/s1
InChIKeyGAUXLGZOKNXSCI-IUCAKERBSA-N
MW229.27 g/mol
LogP2.34
Rot. Bonds3

About (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide

(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 129348874) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide
PubChem CID129348874
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NC[C@@H]1CC12CC2)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C12H17F2NO/c13-12(14)2-1-8(5-12)10(16)15-7-9-6-11(9)3-4-11/h8-9H,1-7H2,(H,15,16)/t8-,9-/m0/s1
InChIKeyGAUXLGZOKNXSCI-IUCAKERBSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 114226212
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876
3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 114226274
3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 114226262
N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 77292727
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
CID 114226519
N-(2-bromo-3-ethylpentyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226698
3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide
CID 130611796
2-methyl-N-(spiro[2.5]octan-2-ylmethyl)propanamide
CID 162496164
N-[[6-[2-(5-fluoro-2-pyridinyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide
CID 131682104
N-[2-(bromomethyl)cyclohexyl]-3,3-difluorocyclopentane-1-carboxamide
CID 114226705

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide (CID 129348874) is (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide is O=C(NC[C@@H]1CC12CC2)[C@H]1CCC(F)(F)C1.
What is the InChIKey of (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is GAUXLGZOKNXSCI-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17F2NO/c13-12(14)2-1-8(5-12)10(16)15-7-9-6-11(9)3-4-11/h8-9H,1-7H2,(H,15,16)/t8-,9-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide?
(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 229.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 129348874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).