1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide

C12H20FNO2 — CID 126795366

IUPAC1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide
SMILESCC1CC(NC(=O)C2(CF)CCC2)CCO1
InChIInChI=1S/C12H20FNO2/c1-9-7-10(3-6-16-9)14-11(15)12(8-13)4-2-5-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyKGQQWTHYKRASMO-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.81
Rot. Bonds3

About 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide

1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide (PubChem CID 126795366) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide
PubChem CID126795366
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide
SMILESCC1CC(NC(=O)C2(CF)CCC2)CCO1
InChIInChI=1S/C12H20FNO2/c1-9-7-10(3-6-16-9)14-11(15)12(8-13)4-2-5-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyKGQQWTHYKRASMO-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
CID 164634508
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,2-trifluoroacetamide
CID 103682172
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3-tetrafluoropropanamide
CID 103733930
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2,3,3,3-pentafluoropropanamide
CID 105855312
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-difluoroacetamide
CID 107168058
2-fluoro-2-methyl-N-(2-methyloxan-4-yl)propanamide
CID 130165433
1-fluoro-N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutane-1-carboxamide
CID 132312268
3,3-difluoro-N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-2,2-dimethylbutanamide
CID 132312305
N-(oxan-4-yl)-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 137955523
cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide
CID 166311403
5,5-dimethyl-N-(oxan-4-yl)hexanamide
CID 68167637
N-(3-methoxycyclobutyl)-4-methyloxane-4-carboxamide
CID 124188816

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide (CID 126795366) is 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide is CC1CC(NC(=O)C2(CF)CCC2)CCO1.
What is the InChIKey of 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide?
The InChIKey is KGQQWTHYKRASMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-9-7-10(3-6-16-9)14-11(15)12(8-13)4-2-5-12/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide?
1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide has a molecular weight of 229.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 126795366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).