(Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine

C9H18FN — CID 130241025

IUPAC(Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine
SMILESC/C=C\[C@@H](C)C(CN)CCF
InChIInChI=1S/C9H18FN/c1-3-4-8(2)9(7-11)5-6-10/h3-4,8-9H,5-7,11H2,1-2H3/b4-3-/t8-,9?/m1/s1
InChIKeyYCIQSLGBZXCQSU-UXBGSERHSA-N
MW159.25 g/mol
LogP2.13
Rot. Bonds5

About (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine

(Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine (PubChem CID 130241025) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine.

Molecular Properties

Compound Name(Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine
PubChem CID130241025
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine
SMILESC/C=C\[C@@H](C)C(CN)CCF
InChIInChI=1S/C9H18FN/c1-3-4-8(2)9(7-11)5-6-10/h3-4,8-9H,5-7,11H2,1-2H3/b4-3-/t8-,9?/m1/s1
InChIKeyYCIQSLGBZXCQSU-UXBGSERHSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine?
The IUPAC name of (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine (CID 130241025) is (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine.
What is the SMILES notation for (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine?
The canonical SMILES for (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine is C/C=C\[C@@H](C)C(CN)CCF.
What is the InChIKey of (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine?
The InChIKey is YCIQSLGBZXCQSU-UXBGSERHSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-4-8(2)9(7-11)5-6-10/h3-4,8-9H,5-7,11H2,1-2H3/b4-3-/t8-,9?/m1/s1.
What are the key properties of (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine?
(Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine is sourced from PubChem (CID 130241025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).