N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide

C10H17F2NO2 — CID 126792221

IUPACN-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCC(NC(=O)C1(C)CCOC1)C(C)(F)F
InChIInChI=1S/C10H17F2NO2/c1-7(10(3,11)12)13-8(14)9(2)4-5-15-6-9/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyIMKBHTOPIKSWGT-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.57
Rot. Bonds3

About N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide

N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide (PubChem CID 126792221) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide
PubChem CID126792221
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCC(NC(=O)C1(C)CCOC1)C(C)(F)F
InChIInChI=1S/C10H17F2NO2/c1-7(10(3,11)12)13-8(14)9(2)4-5-15-6-9/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyIMKBHTOPIKSWGT-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide?
The IUPAC name of N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide (CID 126792221) is N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide is CC(NC(=O)C1(C)CCOC1)C(C)(F)F.
What is the InChIKey of N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide?
The InChIKey is IMKBHTOPIKSWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(10(3,11)12)13-8(14)9(2)4-5-15-6-9/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide?
N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide has a molecular weight of 221.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutan-2-yl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 126792221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).