4-fluorooxane-4-carboxamide

C6H10FNO2 — CID 168873095

IUPAC4-fluorooxane-4-carboxamide
SMILESNC(=O)C1(F)CCOCC1
InChIInChI=1S/C6H10FNO2/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H2,8,9)
InChIKeyIWRRRSWTJDZYAC-UHFFFAOYSA-N
MW147.15 g/mol
LogP-0.01
Rot. Bonds1

About 4-fluorooxane-4-carboxamide

4-fluorooxane-4-carboxamide (PubChem CID 168873095) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 4-fluorooxane-4-carboxamide.

Molecular Properties

Compound Name4-fluorooxane-4-carboxamide
PubChem CID168873095
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name4-fluorooxane-4-carboxamide
SMILESNC(=O)C1(F)CCOCC1
InChIInChI=1S/C6H10FNO2/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H2,8,9)
InChIKeyIWRRRSWTJDZYAC-UHFFFAOYSA-N
XLogP-0.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluorooxane-4-carboxamide?
The IUPAC name of 4-fluorooxane-4-carboxamide (CID 168873095) is 4-fluorooxane-4-carboxamide.
What is the SMILES notation for 4-fluorooxane-4-carboxamide?
The canonical SMILES for 4-fluorooxane-4-carboxamide is NC(=O)C1(F)CCOCC1.
What is the InChIKey of 4-fluorooxane-4-carboxamide?
The InChIKey is IWRRRSWTJDZYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H2,8,9).
What are the key properties of 4-fluorooxane-4-carboxamide?
4-fluorooxane-4-carboxamide has a molecular weight of 147.15 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorooxane-4-carboxamide is sourced from PubChem (CID 168873095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).