(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol

C10H16FNO — CID 142547574

IUPAC(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
SMILESC=C/C(=C(/F)C(=C)C)C(N)CCO
InChIInChI=1S/C10H16FNO/c1-4-8(9(12)5-6-13)10(11)7(2)3/h4,9,13H,1-2,5-6,12H2,3H3/b10-8-
InChIKeyKVPBRXWVGVMPFL-NTMALXAHSA-N
MW185.24 g/mol
LogP1.68
Rot. Bonds5

About (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol

(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol (PubChem CID 142547574) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
PubChem CID142547574
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
SMILESC=C/C(=C(/F)C(=C)C)C(N)CCO
InChIInChI=1S/C10H16FNO/c1-4-8(9(12)5-6-13)10(11)7(2)3/h4,9,13H,1-2,5-6,12H2,3H3/b10-8-
InChIKeyKVPBRXWVGVMPFL-NTMALXAHSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.68
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

(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
CID 135229493
(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
CID 142279463
(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
(Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol
CID 155183993
2-[3-(1-Aminoethyl)cyclohexa-2,4-dien-1-yl]-2,2-difluoroethanol
CID 166734917
(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol
CID 143418544
(5E)-4-amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 56942566
4-Amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 76468828
(4E,8E)-10-amino-4,8-dimethyldeca-4,8-dien-1-ol
CID 88811405
3-(4-Aminocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 89195748

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol?
The IUPAC name of (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol (CID 142547574) is (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol.
What is the SMILES notation for (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol?
The canonical SMILES for (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol is C=C/C(=C(/F)C(=C)C)C(N)CCO.
What is the InChIKey of (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol?
The InChIKey is KVPBRXWVGVMPFL-NTMALXAHSA-N. The full InChI is InChI=1S/C10H16FNO/c1-4-8(9(12)5-6-13)10(11)7(2)3/h4,9,13H,1-2,5-6,12H2,3H3/b10-8-.
What are the key properties of (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol?
(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol has a molecular weight of 185.24 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol is sourced from PubChem (CID 142547574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).