2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide

C9H13F2NO — CID 130774809

IUPAC2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide
SMILESCC1C(C(=O)NC2(C)CC2)C1(F)F
InChIInChI=1S/C9H13F2NO/c1-5-6(9(5,10)11)7(13)12-8(2)3-4-8/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyCHUJMCXBWNNDER-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.56
Rot. Bonds2

About 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide

2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide (PubChem CID 130774809) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide
PubChem CID130774809
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide
SMILESCC1C(C(=O)NC2(C)CC2)C1(F)F
InChIInChI=1S/C9H13F2NO/c1-5-6(9(5,10)11)7(13)12-8(2)3-4-8/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyCHUJMCXBWNNDER-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092184
trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130646724
4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
CID 104963781
cis-(1S,3R)-3-(methylamino)-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide
CID 122513048
2-[(1,4-dimethylcyclohexyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975804
(1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide
CID 129348680
3,3-difluoro-N-[(1S)-1-methylcyclohex-3-en-1-yl]cyclobutane-1-carboxamide
CID 129348514
N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide
CID 130615147
N-(4-methylpiperidin-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114696561
[(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 170111063
4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113491088

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide (CID 130774809) is 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide is CC1C(C(=O)NC2(C)CC2)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide?
The InChIKey is CHUJMCXBWNNDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-5-6(9(5,10)11)7(13)12-8(2)3-4-8/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide?
2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide has a molecular weight of 189.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130774809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).