(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol

C11H18FNO — CID 142279463

IUPAC(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
SMILESC=C/C(CC(C)N)=C(/CCO)C(=C)F
InChIInChI=1S/C11H18FNO/c1-4-10(7-8(2)13)11(5-6-14)9(3)12/h4,8,14H,1,3,5-7,13H2,2H3/b11-10+
InChIKeyQJEXYBCTHBFHBW-ZHACJKMWSA-N
MW199.27 g/mol
LogP2.07
Rot. Bonds6

About (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol

(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol (PubChem CID 142279463) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol.

Molecular Properties

Compound Name(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
PubChem CID142279463
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
SMILESC=C/C(CC(C)N)=C(/CCO)C(=C)F
InChIInChI=1S/C11H18FNO/c1-4-10(7-8(2)13)11(5-6-14)9(3)12/h4,8,14H,1,3,5-7,13H2,2H3/b11-10+
InChIKeyQJEXYBCTHBFHBW-ZHACJKMWSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 135229493
(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol
CID 142806656
(3E,5E)-2-amino-6-(2-fluoropropan-2-yl)-3-methylocta-3,5,7-trien-1-ol
CID 145012073
2-Amino-3-(6-fluorocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 145561468
(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
CID 142547574
(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol
CID 143418544
(4E,6Z)-1-amino-6-methyl-8-(trifluoromethyl)nona-4,6,8-trien-1-ol
CID 157749487
2-Amino-3-prop-1-enylhex-3-en-1-ol
CID 90939141
2-Amino-3-ethenylocta-3,5-dien-1-ol
CID 123257889
(Z,2S,3E)-2-amino-3-ethylidenehex-4-en-1-ol
CID 137470085
(4E,6E,8E)-2-amino-8-ethenyl-4,7-dimethylundeca-4,6,8,10-tetraen-1-ol;ethane
CID 141882975
(3E)-2-amino-3-ethenyl-5-methylhexa-3,5-dien-1-ol;ethane
CID 142547620

Frequently Asked Questions

What is the IUPAC name of (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol?
The IUPAC name of (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol (CID 142279463) is (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol.
What is the SMILES notation for (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol?
The canonical SMILES for (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol is C=C/C(CC(C)N)=C(/CCO)C(=C)F.
What is the InChIKey of (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol?
The InChIKey is QJEXYBCTHBFHBW-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H18FNO/c1-4-10(7-8(2)13)11(5-6-14)9(3)12/h4,8,14H,1,3,5-7,13H2,2H3/b11-10+.
What are the key properties of (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol?
(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol has a molecular weight of 199.27 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol is sourced from PubChem (CID 142279463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).