ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine

C10H18FN — CID 144685433

IUPACethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(F)/C=C\C(=C)CCN.CC
InChIInChI=1S/C8H12FN.C2H6/c1-7(5-6-10)3-4-8(2)9;1-2/h3-4H,1-2,5-6,10H2;1-2H3/b4-3-;
InChIKeyXXFCWRIRJRMDNY-LNKPDPKZSA-N
MW171.26 g/mol
LogP2.96
Rot. Bonds4

About ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine

ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine (PubChem CID 144685433) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Nameethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
PubChem CID144685433
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Nameethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(F)/C=C\C(=C)CCN.CC
InChIInChI=1S/C8H12FN.C2H6/c1-7(5-6-10)3-4-8(2)9;1-2/h3-4H,1-2,5-6,10H2;1-2H3/b4-3-;
InChIKeyXXFCWRIRJRMDNY-LNKPDPKZSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
CID 144685434
(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
CID 143276668
ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate
CID 166152910
2-fluorobuta-1,3-diene;3-methylbut-3-en-1-amine
CID 144685444
ethane;(Z)-4-methylidenehept-5-en-1-amine;molecular hydrogen
CID 143258830
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
CID 144654304
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene
CID 144678741
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672
5-fluoro-2-methylidenehexa-3,5-dienenitrile
CID 123637801
ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene
CID 142994407

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine?
The IUPAC name of ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine (CID 144685433) is ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine?
The canonical SMILES for ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine is C=C(F)/C=C\C(=C)CCN.CC.
What is the InChIKey of ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine?
The InChIKey is XXFCWRIRJRMDNY-LNKPDPKZSA-N. The full InChI is InChI=1S/C8H12FN.C2H6/c1-7(5-6-10)3-4-8(2)9;1-2/h3-4H,1-2,5-6,10H2;1-2H3/b4-3-;.
What are the key properties of ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine?
ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 144685433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).