2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine

C12H23F2N — CID 80604670

IUPAC2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine
SMILESCNC1(C(F)F)CCCCC1C(C)(C)C
InChIInChI=1S/C12H23F2N/c1-11(2,3)9-7-5-6-8-12(9,15-4)10(13)14/h9-10,15H,5-8H2,1-4H3
InChIKeyXMHRKQMJCFGVHE-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.45
Rot. Bonds2

About 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine

2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine (PubChem CID 80604670) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine
PubChem CID80604670
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine
SMILESCNC1(C(F)F)CCCCC1C(C)(C)C
InChIInChI=1S/C12H23F2N/c1-11(2,3)9-7-5-6-8-12(9,15-4)10(13)14/h9-10,15H,5-8H2,1-4H3
InChIKeyXMHRKQMJCFGVHE-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine (CID 80604670) is 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine is CNC1(C(F)F)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine?
The InChIKey is XMHRKQMJCFGVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-11(2,3)9-7-5-6-8-12(9,15-4)10(13)14/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine?
2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine has a molecular weight of 219.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 80604670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).