3-fluorooxolane-3-carboxamide

C5H8FNO2 — CID 131131789

IUPAC3-fluorooxolane-3-carboxamide
SMILESNC(=O)C1(F)CCOC1
InChIInChI=1S/C5H8FNO2/c6-5(4(7)8)1-2-9-3-5/h1-3H2,(H2,7,8)
InChIKeySAURPWGJXWCVHM-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.40
Rot. Bonds1

About 3-fluorooxolane-3-carboxamide

3-fluorooxolane-3-carboxamide (PubChem CID 131131789) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 3-fluorooxolane-3-carboxamide.

Molecular Properties

Compound Name3-fluorooxolane-3-carboxamide
PubChem CID131131789
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name3-fluorooxolane-3-carboxamide
SMILESNC(=O)C1(F)CCOC1
InChIInChI=1S/C5H8FNO2/c6-5(4(7)8)1-2-9-3-5/h1-3H2,(H2,7,8)
InChIKeySAURPWGJXWCVHM-UHFFFAOYSA-N
XLogP-0.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-aminooxolane-3-carboxamide
CID 96640573
3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide
CID 131153682
1-(4-fluorooxan-4-yl)ethanone
CID 58356077
N-cyclopropyl-3-fluoro-N-methyloxolane-3-carboxamide
CID 131155439
3-propan-2-yloxolane-3-carboxamide
CID 170386865
1-(3-aminooxolan-3-yl)ethanone
CID 59621130
4-(fluoromethyl)oxane-4-carboxamide
CID 122714179
4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920789
3-(4-fluoroanilino)oxolane-3-carboxamide
CID 63335238
oxirane;urea
CID 159502675
3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130737034
3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride
CID 134691013

Frequently Asked Questions

What is the IUPAC name of 3-fluorooxolane-3-carboxamide?
The IUPAC name of 3-fluorooxolane-3-carboxamide (CID 131131789) is 3-fluorooxolane-3-carboxamide.
What is the SMILES notation for 3-fluorooxolane-3-carboxamide?
The canonical SMILES for 3-fluorooxolane-3-carboxamide is NC(=O)C1(F)CCOC1.
What is the InChIKey of 3-fluorooxolane-3-carboxamide?
The InChIKey is SAURPWGJXWCVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-5(4(7)8)1-2-9-3-5/h1-3H2,(H2,7,8).
What are the key properties of 3-fluorooxolane-3-carboxamide?
3-fluorooxolane-3-carboxamide has a molecular weight of 133.12 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorooxolane-3-carboxamide is sourced from PubChem (CID 131131789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).