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

C9H13F2NO — CID 130892896

IUPACtrans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C9H13F2NO/c1-4-2-5(4)9(13)12-7-3-6(7)8(10)11/h4-8H,2-3H2,1H3,(H,12,13)/t4-,5-,6-,7-/m0/s1
InChIKeyPIFUZGXXJLHFDE-AXMZGBSTSA-N
MW189.20 g/mol
LogP1.41
Rot. Bonds3

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

trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 130892896) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID130892896
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Nametrans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C9H13F2NO/c1-4-2-5(4)9(13)12-7-3-6(7)8(10)11/h4-8H,2-3H2,1H3,(H,12,13)/t4-,5-,6-,7-/m0/s1
InChIKeyPIFUZGXXJLHFDE-AXMZGBSTSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide (CID 130892896) is trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]1C(F)F.
What is the InChIKey of trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is PIFUZGXXJLHFDE-AXMZGBSTSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-4-2-5(4)9(13)12-7-3-6(7)8(10)11/h4-8H,2-3H2,1H3,(H,12,13)/t4-,5-,6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 189.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130892896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).