3-(fluoromethyl)adamantan-1-amine

C11H18FN — CID 44787433

IUPAC3-(fluoromethyl)adamantan-1-amine
SMILESNC12CC3CC(C1)CC(CF)(C3)C2
InChIInChI=1S/C11H18FN/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9H,1-7,13H2
InChIKeyIAPXZOVKQZYPNQ-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.25
Rot. Bonds1

About 3-(fluoromethyl)adamantan-1-amine

3-(fluoromethyl)adamantan-1-amine (PubChem CID 44787433) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-(fluoromethyl)adamantan-1-amine.

Molecular Properties

Compound Name3-(fluoromethyl)adamantan-1-amine
PubChem CID44787433
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-(fluoromethyl)adamantan-1-amine
SMILESNC12CC3CC(C1)CC(CF)(C3)C2
InChIInChI=1S/C11H18FN/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9H,1-7,13H2
InChIKeyIAPXZOVKQZYPNQ-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)adamantan-1-amine?
The IUPAC name of 3-(fluoromethyl)adamantan-1-amine (CID 44787433) is 3-(fluoromethyl)adamantan-1-amine.
What is the SMILES notation for 3-(fluoromethyl)adamantan-1-amine?
The canonical SMILES for 3-(fluoromethyl)adamantan-1-amine is NC12CC3CC(C1)CC(CF)(C3)C2.
What is the InChIKey of 3-(fluoromethyl)adamantan-1-amine?
The InChIKey is IAPXZOVKQZYPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9H,1-7,13H2.
What are the key properties of 3-(fluoromethyl)adamantan-1-amine?
3-(fluoromethyl)adamantan-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)adamantan-1-amine is sourced from PubChem (CID 44787433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).