2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide

C13H17F2N3O2 — CID 136581055

IUPAC2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
SMILESCC1C(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(F)F
InChIInChI=1S/C13H17F2N3O2/c1-7-9(13(7,14)15)12(19)17-8-3-6-20-10(8)11-16-4-5-18(11)2/h4-5,7-10H,3,6H2,1-2H3,(H,17,19)/t7?,8-,9?,10-/m0/s1
InChIKeyXZGLQZSBDWKDFO-LRHRNSLUSA-N
MW285.29 g/mol
LogP1.27
Rot. Bonds3

About 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide

2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide (PubChem CID 136581055) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
PubChem CID136581055
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
SMILESCC1C(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(F)F
InChIInChI=1S/C13H17F2N3O2/c1-7-9(13(7,14)15)12(19)17-8-3-6-20-10(8)11-16-4-5-18(11)2/h4-5,7-10H,3,6H2,1-2H3,(H,17,19)/t7?,8-,9?,10-/m0/s1
InChIKeyXZGLQZSBDWKDFO-LRHRNSLUSA-N
XLogP1.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide (CID 136581055) is 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide is CC1C(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is XZGLQZSBDWKDFO-LRHRNSLUSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-7-9(13(7,14)15)12(19)17-8-3-6-20-10(8)11-16-4-5-18(11)2/h4-5,7-10H,3,6H2,1-2H3,(H,17,19)/t7?,8-,9?,10-/m0/s1.
What are the key properties of 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136581055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).