2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide

C10H15F2NO2 — CID 167864479

IUPAC2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide
SMILESCC1(NC(=O)C2CC2(F)F)CCCOC1
InChIInChI=1S/C10H15F2NO2/c1-9(3-2-4-15-6-9)13-8(14)7-5-10(7,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyDGLQNBZKQIJNSE-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.33
Rot. Bonds2

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

2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide (PubChem CID 167864479) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide
PubChem CID167864479
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide
SMILESCC1(NC(=O)C2CC2(F)F)CCCOC1
InChIInChI=1S/C10H15F2NO2/c1-9(3-2-4-15-6-9)13-8(14)7-5-10(7,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyDGLQNBZKQIJNSE-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide (CID 167864479) is 2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide is CC1(NC(=O)C2CC2(F)F)CCCOC1.
What is the InChIKey of 2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is DGLQNBZKQIJNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-9(3-2-4-15-6-9)13-8(14)7-5-10(7,11)12/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide?
2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide has a molecular weight of 219.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167864479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).