3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide

C9H16FNO2 — CID 127013259

IUPAC3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)N(C)C(=O)C1(F)CCOC1
InChIInChI=1S/C9H16FNO2/c1-7(2)11(3)8(12)9(10)4-5-13-6-9/h7H,4-6H2,1-3H3
InChIKeyTXNMMBDSOSMOTQ-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.98
Rot. Bonds2

About 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide

3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 127013259) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID127013259
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)N(C)C(=O)C1(F)CCOC1
InChIInChI=1S/C9H16FNO2/c1-7(2)11(3)8(12)9(10)4-5-13-6-9/h7H,4-6H2,1-3H3
InChIKeyTXNMMBDSOSMOTQ-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide (CID 127013259) is 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide is CC(C)N(C)C(=O)C1(F)CCOC1.
What is the InChIKey of 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is TXNMMBDSOSMOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(2)11(3)8(12)9(10)4-5-13-6-9/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide?
3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 189.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 127013259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).