2-(4-fluorocyclohex-3-en-1-yl)ethanamine

C8H14FN — CID 146528576

IUPAC2-(4-fluorocyclohex-3-en-1-yl)ethanamine
SMILESNCCC1CC=C(F)CC1
InChIInChI=1S/C8H14FN/c9-8-3-1-7(2-4-8)5-6-10/h3,7H,1-2,4-6,10H2
InChIKeyPNLCHQOCZPIQHU-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.99
Rot. Bonds2

About 2-(4-fluorocyclohex-3-en-1-yl)ethanamine

2-(4-fluorocyclohex-3-en-1-yl)ethanamine (PubChem CID 146528576) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)ethanamine
PubChem CID146528576
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)ethanamine
SMILESNCCC1CC=C(F)CC1
InChIInChI=1S/C8H14FN/c9-8-3-1-7(2-4-8)5-6-10/h3,7H,1-2,4-6,10H2
InChIKeyPNLCHQOCZPIQHU-UHFFFAOYSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)ethanamine?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)ethanamine (CID 146528576) is 2-(4-fluorocyclohex-3-en-1-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)ethanamine?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)ethanamine is NCCC1CC=C(F)CC1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)ethanamine?
The InChIKey is PNLCHQOCZPIQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c9-8-3-1-7(2-4-8)5-6-10/h3,7H,1-2,4-6,10H2.
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)ethanamine?
2-(4-fluorocyclohex-3-en-1-yl)ethanamine has a molecular weight of 143.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohex-3-en-1-yl)ethanamine is sourced from PubChem (CID 146528576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).