N-(2-fluoroethyl)spiro[4.5]decan-8-amine

C12H22FN — CID 130503762

IUPACN-(2-fluoroethyl)spiro[4.5]decan-8-amine
SMILESFCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22FN/c13-9-10-14-11-3-7-12(8-4-11)5-1-2-6-12/h11,14H,1-10H2
InChIKeyUVXPTEQRYZOUGP-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.05
Rot. Bonds3

About N-(2-fluoroethyl)spiro[4.5]decan-8-amine

N-(2-fluoroethyl)spiro[4.5]decan-8-amine (PubChem CID 130503762) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is N-(2-fluoroethyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)spiro[4.5]decan-8-amine
PubChem CID130503762
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC NameN-(2-fluoroethyl)spiro[4.5]decan-8-amine
SMILESFCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22FN/c13-9-10-14-11-3-7-12(8-4-11)5-1-2-6-12/h11,14H,1-10H2
InChIKeyUVXPTEQRYZOUGP-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(2-fluoroethyl)spiro[4.5]decan-8-amine (CID 130503762) is N-(2-fluoroethyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2-fluoroethyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(2-fluoroethyl)spiro[4.5]decan-8-amine is FCCNC1CCC2(CCCC2)CC1.
What is the InChIKey of N-(2-fluoroethyl)spiro[4.5]decan-8-amine?
The InChIKey is UVXPTEQRYZOUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c13-9-10-14-11-3-7-12(8-4-11)5-1-2-6-12/h11,14H,1-10H2.
What are the key properties of N-(2-fluoroethyl)spiro[4.5]decan-8-amine?
N-(2-fluoroethyl)spiro[4.5]decan-8-amine has a molecular weight of 199.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 130503762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).