(4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine

C11H18FN — CID 129313467

IUPAC(4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine
SMILESC=C(C)/C=C\C(=C/C)CC(N)CF
InChIInChI=1S/C11H18FN/c1-4-10(6-5-9(2)3)7-11(13)8-12/h4-6,11H,2,7-8,13H2,1,3H3/b6-5-,10-4+
InChIKeyFRAHFBPMNOYNGR-QYONPMAVSA-N
MW183.27 g/mol
LogP2.75
Rot. Bonds5

About (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine

(4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine (PubChem CID 129313467) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine.

Molecular Properties

Compound Name(4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine
PubChem CID129313467
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine
SMILESC=C(C)/C=C\C(=C/C)CC(N)CF
InChIInChI=1S/C11H18FN/c1-4-10(6-5-9(2)3)7-11(13)8-12/h4-6,11H,2,7-8,13H2,1,3H3/b6-5-,10-4+
InChIKeyFRAHFBPMNOYNGR-QYONPMAVSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-Methylhept-5-en-2-amine, (+-)-
CID 31179
1-Cyclohexa-1,5-dien-1-ylpropan-2-amine
CID 53774715
6-Octadien yl-amine
CID 88768699
(E)-1-fluoro-4-methylhept-3-ene-2,5-diamine
CID 20476203
(2R)-6-Methyl-5-hepten-2-amine
CID 46919417
1-Fluoro-4-methylhept-3-ene-2,5-diamine
CID 53738507
5-Fluoro-2-propylpent-2-ene-1,4-diamine
CID 54308569
(2S)-6-Methyl-5-hepten-2-amine
CID 55281353
4-Ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-amine
CID 68084234
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
2-Fluoro-5-methylcyclohexa-2,4-dien-1-amine
CID 68390722
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 77408480

Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine?
The IUPAC name of (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine (CID 129313467) is (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine.
What is the SMILES notation for (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine?
The canonical SMILES for (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine is C=C(C)/C=C\C(=C/C)CC(N)CF.
What is the InChIKey of (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine?
The InChIKey is FRAHFBPMNOYNGR-QYONPMAVSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-10(6-5-9(2)3)7-11(13)8-12/h4-6,11H,2,7-8,13H2,1,3H3/b6-5-,10-4+.
What are the key properties of (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine?
(4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine has a molecular weight of 183.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine is sourced from PubChem (CID 129313467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).