(E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine

C10H21FN2 — CID 174355359

IUPAC(E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine
SMILESCC/C=C(/N)CC(CC)NCCF
InChIInChI=1S/C10H21FN2/c1-3-5-9(12)8-10(4-2)13-7-6-11/h5,10,13H,3-4,6-8,12H2,1-2H3/b9-5+
InChIKeyRLKHQUZQPXGRPH-WEVVVXLNSA-N
MW188.29 g/mol
LogP1.97
Rot. Bonds7

About (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine

(E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine (PubChem CID 174355359) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine.

Molecular Properties

Compound Name(E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine
PubChem CID174355359
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name(E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine
SMILESCC/C=C(/N)CC(CC)NCCF
InChIInChI=1S/C10H21FN2/c1-3-5-9(12)8-10(4-2)13-7-6-11/h5,10,13H,3-4,6-8,12H2,1-2H3/b9-5+
InChIKeyRLKHQUZQPXGRPH-WEVVVXLNSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine?
The IUPAC name of (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine (CID 174355359) is (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine.
What is the SMILES notation for (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine?
The canonical SMILES for (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine is CC/C=C(/N)CC(CC)NCCF.
What is the InChIKey of (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine?
The InChIKey is RLKHQUZQPXGRPH-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H21FN2/c1-3-5-9(12)8-10(4-2)13-7-6-11/h5,10,13H,3-4,6-8,12H2,1-2H3/b9-5+.
What are the key properties of (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine?
(E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine has a molecular weight of 188.29 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine is sourced from PubChem (CID 174355359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).