1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide

C8H14F2N2O — CID 115406460

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCC(F)F)CCC1
InChIInChI=1S/C8H14F2N2O/c9-6(10)4-12-7(13)8(5-11)2-1-3-8/h6H,1-5,11H2,(H,12,13)
InChIKeyCKZYWTFRHJBQFW-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.50
Rot. Bonds4

About 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide (PubChem CID 115406460) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
PubChem CID115406460
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCC(F)F)CCC1
InChIInChI=1S/C8H14F2N2O/c9-6(10)4-12-7(13)8(5-11)2-1-3-8/h6H,1-5,11H2,(H,12,13)
InChIKeyCKZYWTFRHJBQFW-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
CID 106291037
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid
CID 115448625
1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide
CID 115448709
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1-carboxamide
CID 106291021
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide
CID 106116673
1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide
CID 115448375
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396
1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide
CID 115453464

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide (CID 115406460) is 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide is NCC1(C(=O)NCC(F)F)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide?
The InChIKey is CKZYWTFRHJBQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c9-6(10)4-12-7(13)8(5-11)2-1-3-8/h6H,1-5,11H2,(H,12,13).
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide has a molecular weight of 192.21 g/mol, XLogP of 0.50, 4 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-difluoroethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115406460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).