3-(2-fluoroethyl)adamantan-1-amine

C12H20FN — CID 86344239

IUPAC3-(2-fluoroethyl)adamantan-1-amine
SMILESNC12CC3CC(C1)CC(CCF)(C3)C2
InChIInChI=1S/C12H20FN/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10H,1-8,14H2
InChIKeyHUYVZSFADWYSHD-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.64
Rot. Bonds2

About 3-(2-fluoroethyl)adamantan-1-amine

3-(2-fluoroethyl)adamantan-1-amine (PubChem CID 86344239) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(2-fluoroethyl)adamantan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethyl)adamantan-1-amine
PubChem CID86344239
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name3-(2-fluoroethyl)adamantan-1-amine
SMILESNC12CC3CC(C1)CC(CCF)(C3)C2
InChIInChI=1S/C12H20FN/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10H,1-8,14H2
InChIKeyHUYVZSFADWYSHD-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)adamantan-1-amine?
The IUPAC name of 3-(2-fluoroethyl)adamantan-1-amine (CID 86344239) is 3-(2-fluoroethyl)adamantan-1-amine.
What is the SMILES notation for 3-(2-fluoroethyl)adamantan-1-amine?
The canonical SMILES for 3-(2-fluoroethyl)adamantan-1-amine is NC12CC3CC(C1)CC(CCF)(C3)C2.
What is the InChIKey of 3-(2-fluoroethyl)adamantan-1-amine?
The InChIKey is HUYVZSFADWYSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10H,1-8,14H2.
What are the key properties of 3-(2-fluoroethyl)adamantan-1-amine?
3-(2-fluoroethyl)adamantan-1-amine has a molecular weight of 197.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)adamantan-1-amine is sourced from PubChem (CID 86344239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).