(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol

C8H11F2NO — CID 142559493

IUPAC(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol
SMILESC=C(F)/C(F)=C\C(=C)C(N)CO
InChIInChI=1S/C8H11F2NO/c1-5(8(11)4-12)3-7(10)6(2)9/h3,8,12H,1-2,4,11H2/b7-3+
InChIKeyHRJRQALBWAIXPM-XVNBXDOJSA-N
MW175.18 g/mol
LogP1.20
Rot. Bonds4

About (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol

(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol (PubChem CID 142559493) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol
PubChem CID142559493
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol
SMILESC=C(F)/C(F)=C\C(=C)C(N)CO
InChIInChI=1S/C8H11F2NO/c1-5(8(11)4-12)3-7(10)6(2)9/h3,8,12H,1-2,4,11H2/b7-3+
InChIKeyHRJRQALBWAIXPM-XVNBXDOJSA-N
XLogP1.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.20
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

(3E)-5-amino-3-fluoro-2,2,6-trimethylhepta-3,6-dien-1-ol
CID 139455860
(2S)-2-amino-2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol
CID 144266272
(3E,5E)-2-amino-3-ethenyl-6-(trifluoromethoxy)hepta-3,5-dien-1-ol
CID 144580569
(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
(2S)-2-amino-2-(3-fluorocyclohexa-1,3-dien-1-yl)ethanol
CID 163870789
2-Amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 68098762
(2R)-2-amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 68177021
2-Amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 77417632
2-Amino-3-prop-1-enylhex-3-en-1-ol
CID 90939141
(2S)-2-amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 118478786
2-Amino-3-ethenylocta-3,5-dien-1-ol
CID 123257889

Frequently Asked Questions

What is the IUPAC name of (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol?
The IUPAC name of (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol (CID 142559493) is (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol.
What is the SMILES notation for (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol?
The canonical SMILES for (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol is C=C(F)/C(F)=C\C(=C)C(N)CO.
What is the InChIKey of (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol?
The InChIKey is HRJRQALBWAIXPM-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-5(8(11)4-12)3-7(10)6(2)9/h3,8,12H,1-2,4,11H2/b7-3+.
What are the key properties of (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol?
(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol has a molecular weight of 175.18 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol is sourced from PubChem (CID 142559493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).