1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide

C9H14F4N2O — CID 106291037

IUPAC1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCC(F)(F)C(F)F)CCC1
InChIInChI=1S/C9H14F4N2O/c10-6(11)9(12,13)5-15-7(16)8(4-14)2-1-3-8/h6H,1-5,14H2,(H,15,16)
InChIKeyNMWUSJJNLNNYAL-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.13
Rot. Bonds5

About 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide (PubChem CID 106291037) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
PubChem CID106291037
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC Name1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCC(F)(F)C(F)F)CCC1
InChIInChI=1S/C9H14F4N2O/c10-6(11)9(12,13)5-15-7(16)8(4-14)2-1-3-8/h6H,1-5,14H2,(H,15,16)
InChIKeyNMWUSJJNLNNYAL-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1-carboxamide
CID 106291021
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80587530
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291709
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
CID 106292120
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 113311791
4-(methoxymethyl)-N-(2,2,3,3-tetrafluoropropyl)piperidine-4-carboxamide
CID 106291735
2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide
CID 114169272
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
1-(aminomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 115437980

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide (CID 106291037) is 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide is NCC1(C(=O)NCC(F)(F)C(F)F)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide?
The InChIKey is NMWUSJJNLNNYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O/c10-6(11)9(12,13)5-15-7(16)8(4-14)2-1-3-8/h6H,1-5,14H2,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide has a molecular weight of 242.22 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 106291037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).