2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine

C12H23F2N — CID 78958691

IUPAC2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCC(F)F
InChIInChI=1S/C12H23F2N/c1-12(2,3)9-6-4-5-7-10(9)15-8-11(13)14/h9-11,15H,4-8H2,1-3H3
InChIKeyAVENWHFMGBZVNM-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.45
Rot. Bonds3

About 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine

2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine (PubChem CID 78958691) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
PubChem CID78958691
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCC(F)F
InChIInChI=1S/C12H23F2N/c1-12(2,3)9-6-4-5-7-10(9)15-8-11(13)14/h9-11,15H,4-8H2,1-3H3
InChIKeyAVENWHFMGBZVNM-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 115406111
2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43079272
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115728691
N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine
CID 103460679
5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
CID 107270228
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 28673271
2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 55261404
(2-tert-butylcyclohexyl)hydrazine
CID 18070389

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine (CID 78958691) is 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine is CC(C)(C)C1CCCCC1NCC(F)F.
What is the InChIKey of 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine?
The InChIKey is AVENWHFMGBZVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-12(2,3)9-6-4-5-7-10(9)15-8-11(13)14/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine?
2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine has a molecular weight of 219.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 78958691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).