4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C12H22F2N2O — CID 102629115

IUPAC4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC(F)F)C1(C)C
InChIInChI=1S/C12H22F2N2O/c1-7-9(15)5-4-8(12(7,2)3)11(17)16-6-10(13)14/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyXRWAZTNNDPGIAW-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.77
Rot. Bonds3

About 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629115) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629115
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC(F)F)C1(C)C
InChIInChI=1S/C12H22F2N2O/c1-7-9(15)5-4-8(12(7,2)3)11(17)16-6-10(13)14/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyXRWAZTNNDPGIAW-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S,3S,5R)-6,6-dimethyl-2-(3-oxopropyl)-3-bicyclo[3.1.1]heptanyl]-2,2,2-trifluoroacetamide
CID 88650739
9-Amino-6-fluoro-6-methyl-2-azaspiro[4.5]decan-1-one
CID 89983285
N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 91198203
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 130233589
N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide
CID 143001956
1-[4-(1,1-Difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide
CID 153410122
1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 162563395
(1S)-2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 173505523
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[[5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)-1,3,3-trimethylcyclohexyl]methyl]nonanamide
CID 3631337
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-[[5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoylamino)-1,3,3-trimethylcyclohexyl]methyl]nonanamide
CID 4090898
4-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116571
4-amino-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116573

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629115) is 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCC(F)F)C1(C)C.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is XRWAZTNNDPGIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-7-9(15)5-4-8(12(7,2)3)11(17)16-6-10(13)14/h7-10H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 248.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).