N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide

C9H16FNO2 — CID 130643247

IUPACN-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(CF)NC(=O)C1CCCO1
InChIInChI=1S/C9H16FNO2/c1-9(2,6-10)11-8(12)7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyRFBSIYQUUABGDJ-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.03
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide (PubChem CID 130643247) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
PubChem CID130643247
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(CF)NC(=O)C1CCCO1
InChIInChI=1S/C9H16FNO2/c1-9(2,6-10)11-8(12)7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyRFBSIYQUUABGDJ-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide (CID 130643247) is N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide is CC(C)(CF)NC(=O)C1CCCO1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide?
The InChIKey is RFBSIYQUUABGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(2,6-10)11-8(12)7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide has a molecular weight of 189.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 130643247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).