N-(2,2-difluoroethyl)adamantan-1-amine

C12H19F2N — CID 60921369

IUPACN-(2,2-difluoroethyl)adamantan-1-amine
SMILESFC(F)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19F2N/c13-11(14)7-15-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,15H,1-7H2
InChIKeyJFBZAKXDJJZDPR-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.81
Rot. Bonds3

About N-(2,2-difluoroethyl)adamantan-1-amine

N-(2,2-difluoroethyl)adamantan-1-amine (PubChem CID 60921369) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)adamantan-1-amine
PubChem CID60921369
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(2,2-difluoroethyl)adamantan-1-amine
SMILESFC(F)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19F2N/c13-11(14)7-15-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,15H,1-7H2
InChIKeyJFBZAKXDJJZDPR-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)adamantan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)adamantan-1-amine (CID 60921369) is N-(2,2-difluoroethyl)adamantan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)adamantan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)adamantan-1-amine is FC(F)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2,2-difluoroethyl)adamantan-1-amine?
The InChIKey is JFBZAKXDJJZDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N/c13-11(14)7-15-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,15H,1-7H2.
What are the key properties of N-(2,2-difluoroethyl)adamantan-1-amine?
N-(2,2-difluoroethyl)adamantan-1-amine has a molecular weight of 215.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)adamantan-1-amine is sourced from PubChem (CID 60921369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).