N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide

C8H12F2N2O — CID 126987208

IUPACN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1C(F)F)N1CCC1
InChIInChI=1S/C8H12F2N2O/c9-7(10)5-4-6(5)11-8(13)12-2-1-3-12/h5-7H,1-4H2,(H,11,13)/t5-,6-/m0/s1
InChIKeyIRWDPFWGLGSJHO-WDSKDSINSA-N
MW190.19 g/mol
LogP1.06
Rot. Bonds2

About N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide

N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide (PubChem CID 126987208) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide
PubChem CID126987208
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC NameN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1C(F)F)N1CCC1
InChIInChI=1S/C8H12F2N2O/c9-7(10)5-4-6(5)11-8(13)12-2-1-3-12/h5-7H,1-4H2,(H,11,13)/t5-,6-/m0/s1
InChIKeyIRWDPFWGLGSJHO-WDSKDSINSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115578521
3,3-difluoro-N-isopropylazetidine-1-carboxamide
CID 122269482
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide
CID 165139077
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
CID 165139144
N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide
CID 167134973
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135157
N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
CID 167135164
N-(1,2-dimethylcyclopropyl)-3,3-difluoroazetidine-1-carboxamide
CID 167136622
N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide
CID 170220583
[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea
CID 175918542
3-Cyclopropyl-1-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)urea
CID 56010362
1-(2,2-Difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea
CID 56825419

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide (CID 126987208) is N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide is O=C(N[C@H]1C[C@@H]1C(F)F)N1CCC1.
What is the InChIKey of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The InChIKey is IRWDPFWGLGSJHO-WDSKDSINSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-7(10)5-4-6(5)11-8(13)12-2-1-3-12/h5-7H,1-4H2,(H,11,13)/t5-,6-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide?
N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide has a molecular weight of 190.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]azetidine-1-carboxamide is sourced from PubChem (CID 126987208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).