(2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine

C12H20FN — CID 89318078

IUPAC(2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine
SMILESC=C(/C=C(C)\C(=C/CF)CC)[C@@H](C)N
InChIInChI=1S/C12H20FN/c1-5-12(6-7-13)10(3)8-9(2)11(4)14/h6,8,11H,2,5,7,14H2,1,3-4H3/b10-8-,12-6-/t11-/m1/s1
InChIKeyZOULYJYVMKXMRM-FKUNRITMSA-N
MW197.30 g/mol
LogP3.14
Rot. Bonds5

About (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine

(2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine (PubChem CID 89318078) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine.

Molecular Properties

Compound Name(2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine
PubChem CID89318078
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine
SMILESC=C(/C=C(C)\C(=C/CF)CC)[C@@H](C)N
InChIInChI=1S/C12H20FN/c1-5-12(6-7-13)10(3)8-9(2)11(4)14/h6,8,11H,2,5,7,14H2,1,3-4H3/b10-8-,12-6-/t11-/m1/s1
InChIKeyZOULYJYVMKXMRM-FKUNRITMSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine?
The IUPAC name of (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine (CID 89318078) is (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine.
What is the SMILES notation for (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine?
The canonical SMILES for (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine is C=C(/C=C(C)\C(=C/CF)CC)[C@@H](C)N.
What is the InChIKey of (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine?
The InChIKey is ZOULYJYVMKXMRM-FKUNRITMSA-N. The full InChI is InChI=1S/C12H20FN/c1-5-12(6-7-13)10(3)8-9(2)11(4)14/h6,8,11H,2,5,7,14H2,1,3-4H3/b10-8-,12-6-/t11-/m1/s1.
What are the key properties of (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine?
(2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine has a molecular weight of 197.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine is sourced from PubChem (CID 89318078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).