1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide

C10H18F2N2O — CID 115733885

IUPAC1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CC(F)F)C(=O)C1(N)CCCCC1
InChIInChI=1S/C10H18F2N2O/c1-14(7-8(11)12)9(15)10(13)5-3-2-4-6-10/h8H,2-7,13H2,1H3
InChIKeyDPVLXPTVTXMZPQ-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.37
Rot. Bonds3

About 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide

1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 115733885) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide
PubChem CID115733885
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CC(F)F)C(=O)C1(N)CCCCC1
InChIInChI=1S/C10H18F2N2O/c1-14(7-8(11)12)9(15)10(13)5-3-2-4-6-10/h8H,2-7,13H2,1H3
InChIKeyDPVLXPTVTXMZPQ-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-azetidin-1-yl)-ethanone
CID 44403069
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidin-1-yl)-ethanone
CID 44458617
1-amino-N,N-dimethylcyclohexane-1-carboxamide
CID 24701890
1-amino-N,N-diethylcyclohexane-1-carboxamide
CID 24696467
1-amino-N-butylcyclohexane-1-carboxamide
CID 24690155
1-amino-N-propylcyclohexane-1-carboxamide
CID 24701829
1-amino-N-ethylcyclohexane-1-carboxamide hydrochloride
CID 42948598
2,2-Dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one
CID 134975948
1-[4-(1-Aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 61042082
N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 75484149
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 78882420

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide (CID 115733885) is 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide is CN(CC(F)F)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is DPVLXPTVTXMZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-14(7-8(11)12)9(15)10(13)5-3-2-4-6-10/h8H,2-7,13H2,1H3.
What are the key properties of 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide?
1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2-difluoroethyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115733885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).