4-(difluoromethyl)adamantan-1-amine

C11H17F2N — CID 58192793

IUPAC4-(difluoromethyl)adamantan-1-amine
SMILESNC12CC3CC(C1)C(C(F)F)C(C3)C2
InChIInChI=1S/C11H17F2N/c12-10(13)9-7-1-6-2-8(9)5-11(14,3-6)4-7/h6-10H,1-5,14H2
InChIKeyWJZHXCAOXUCQRI-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.41
Rot. Bonds1

About 4-(difluoromethyl)adamantan-1-amine

4-(difluoromethyl)adamantan-1-amine (PubChem CID 58192793) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 4-(difluoromethyl)adamantan-1-amine.

Molecular Properties

Compound Name4-(difluoromethyl)adamantan-1-amine
PubChem CID58192793
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name4-(difluoromethyl)adamantan-1-amine
SMILESNC12CC3CC(C1)C(C(F)F)C(C3)C2
InChIInChI=1S/C11H17F2N/c12-10(13)9-7-1-6-2-8(9)5-11(14,3-6)4-7/h6-10H,1-5,14H2
InChIKeyWJZHXCAOXUCQRI-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)adamantan-1-amine?
The IUPAC name of 4-(difluoromethyl)adamantan-1-amine (CID 58192793) is 4-(difluoromethyl)adamantan-1-amine.
What is the SMILES notation for 4-(difluoromethyl)adamantan-1-amine?
The canonical SMILES for 4-(difluoromethyl)adamantan-1-amine is NC12CC3CC(C1)C(C(F)F)C(C3)C2.
What is the InChIKey of 4-(difluoromethyl)adamantan-1-amine?
The InChIKey is WJZHXCAOXUCQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c12-10(13)9-7-1-6-2-8(9)5-11(14,3-6)4-7/h6-10H,1-5,14H2.
What are the key properties of 4-(difluoromethyl)adamantan-1-amine?
4-(difluoromethyl)adamantan-1-amine has a molecular weight of 201.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)adamantan-1-amine is sourced from PubChem (CID 58192793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).