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

C10H18F2N2O — CID 115406466

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C10H18F2N2O/c11-8(12)6-14-9(15)10(7-13)4-2-1-3-5-10/h8H,1-7,13H2,(H,14,15)
InChIKeyORULTXIIDRXUPS-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.28
Rot. Bonds4

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

1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide (PubChem CID 115406466) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
PubChem CID115406466
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C10H18F2N2O/c11-8(12)6-14-9(15)10(7-13)4-2-1-3-5-10/h8H,1-7,13H2,(H,14,15)
InChIKeyORULTXIIDRXUPS-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
CID 107152969
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1-carboxamide
CID 106291021
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396
4-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-methoxybutanoic acid
CID 103157255
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
CID 106291037
1-carbamothioyl-N-(2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 115407173
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide (CID 115406466) is 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide is NCC1(C(=O)NCC(F)F)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is ORULTXIIDRXUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c11-8(12)6-14-9(15)10(7-13)4-2-1-3-5-10/h8H,1-7,13H2,(H,14,15).
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.28, 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)cyclohexane-1-carboxamide is sourced from PubChem (CID 115406466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).