N-butan-2-yl-3-fluorooxolane-3-carboxamide

C9H16FNO2 — CID 130708318

IUPACN-butan-2-yl-3-fluorooxolane-3-carboxamide
SMILESCCC(C)NC(=O)C1(F)CCOC1
InChIInChI=1S/C9H16FNO2/c1-3-7(2)11-8(12)9(10)4-5-13-6-9/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyJUCBTPYIWXRUSI-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.03
Rot. Bonds3

About N-butan-2-yl-3-fluorooxolane-3-carboxamide

N-butan-2-yl-3-fluorooxolane-3-carboxamide (PubChem CID 130708318) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is N-butan-2-yl-3-fluorooxolane-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-fluorooxolane-3-carboxamide
PubChem CID130708318
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC NameN-butan-2-yl-3-fluorooxolane-3-carboxamide
SMILESCCC(C)NC(=O)C1(F)CCOC1
InChIInChI=1S/C9H16FNO2/c1-3-7(2)11-8(12)9(10)4-5-13-6-9/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyJUCBTPYIWXRUSI-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-butan-2-yl-3-fluorooxolane-3-carboxamide?
The IUPAC name of N-butan-2-yl-3-fluorooxolane-3-carboxamide (CID 130708318) is N-butan-2-yl-3-fluorooxolane-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-fluorooxolane-3-carboxamide?
The canonical SMILES for N-butan-2-yl-3-fluorooxolane-3-carboxamide is CCC(C)NC(=O)C1(F)CCOC1.
What is the InChIKey of N-butan-2-yl-3-fluorooxolane-3-carboxamide?
The InChIKey is JUCBTPYIWXRUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-3-7(2)11-8(12)9(10)4-5-13-6-9/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-butan-2-yl-3-fluorooxolane-3-carboxamide?
N-butan-2-yl-3-fluorooxolane-3-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-butan-2-yl-3-fluorooxolane-3-carboxamide is sourced from PubChem (CID 130708318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).