2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide

C9H15F2NO — CID 58395131

IUPAC2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1CC1(F)F
InChIInChI=1S/C9H15F2NO/c1-6(2)3-4-12-8(13)7-5-9(7,10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyYHTAXHAIBWHNAL-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.80
Rot. Bonds4

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

2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide (PubChem CID 58395131) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide
PubChem CID58395131
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1CC1(F)F
InChIInChI=1S/C9H15F2NO/c1-6(2)3-4-12-8(13)7-5-9(7,10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyYHTAXHAIBWHNAL-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide (CID 58395131) is 2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide is CC(C)CCNC(=O)C1CC1(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The InChIKey is YHTAXHAIBWHNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-6(2)3-4-12-8(13)7-5-9(7,10)11/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide?
2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide has a molecular weight of 191.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58395131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).