4-(fluoromethyl)oxane-4-carboxamide

C7H12FNO2 — CID 122714179

IUPAC4-(fluoromethyl)oxane-4-carboxamide
SMILESNC(=O)C1(CF)CCOCC1
InChIInChI=1S/C7H12FNO2/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5H2,(H2,9,10)
InChIKeyVUFQOIKQZKDXJX-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.24
Rot. Bonds2

About 4-(fluoromethyl)oxane-4-carboxamide

4-(fluoromethyl)oxane-4-carboxamide (PubChem CID 122714179) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 4-(fluoromethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)oxane-4-carboxamide
PubChem CID122714179
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name4-(fluoromethyl)oxane-4-carboxamide
SMILESNC(=O)C1(CF)CCOCC1
InChIInChI=1S/C7H12FNO2/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5H2,(H2,9,10)
InChIKeyVUFQOIKQZKDXJX-UHFFFAOYSA-N
XLogP0.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(fluoromethyl)oxane-4-carboxylic acid
CID 83815747
4-(3-oxobutyl)oxane-4-carboxamide
CID 143045397
4-(2-fluoroethyl)oxane-4-carboxylic acid
CID 80695924
4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide
CID 115709382
4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
CID 47372219
4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide
CID 56797554
4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920789
4-[[2,6-dinitro-4-(trifluoromethyl)anilino]methyl]oxane-4-carboxamide
CID 133430613
4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide
CID 56797555
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
2-(4-methyloxan-4-yl)acetamide
CID 137499101
CID 58245624
CID 58245624

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)oxane-4-carboxamide?
The IUPAC name of 4-(fluoromethyl)oxane-4-carboxamide (CID 122714179) is 4-(fluoromethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(fluoromethyl)oxane-4-carboxamide is NC(=O)C1(CF)CCOCC1.
What is the InChIKey of 4-(fluoromethyl)oxane-4-carboxamide?
The InChIKey is VUFQOIKQZKDXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5H2,(H2,9,10).
What are the key properties of 4-(fluoromethyl)oxane-4-carboxamide?
4-(fluoromethyl)oxane-4-carboxamide has a molecular weight of 161.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)oxane-4-carboxamide is sourced from PubChem (CID 122714179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).