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

C9H18FN — CID 153329757

IUPAC(Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine
SMILESC/C=C\C[C@@H](C)N(C)CCF
InChIInChI=1S/C9H18FN/c1-4-5-6-9(2)11(3)8-7-10/h4-5,9H,6-8H2,1-3H3/b5-4-/t9-/m1/s1
InChIKeyLJONLVHNYWZGHA-XRVBUDJMSA-N
MW159.25 g/mol
LogP2.24
Rot. Bonds5

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

(Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine (PubChem CID 153329757) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine.

Molecular Properties

Compound Name(Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine
PubChem CID153329757
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine
SMILESC/C=C\C[C@@H](C)N(C)CCF
InChIInChI=1S/C9H18FN/c1-4-5-6-9(2)11(3)8-7-10/h4-5,9H,6-8H2,1-3H3/b5-4-/t9-/m1/s1
InChIKeyLJONLVHNYWZGHA-XRVBUDJMSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
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,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine?
The IUPAC name of (Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine (CID 153329757) is (Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine.
What is the SMILES notation for (Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine?
The canonical SMILES for (Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine is C/C=C\C[C@@H](C)N(C)CCF.
What is the InChIKey of (Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine?
The InChIKey is LJONLVHNYWZGHA-XRVBUDJMSA-N. The full InChI is InChI=1S/C9H18FN/c1-4-5-6-9(2)11(3)8-7-10/h4-5,9H,6-8H2,1-3H3/b5-4-/t9-/m1/s1.
What are the key properties of (Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine?
(Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine is sourced from PubChem (CID 153329757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).