(2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol

C7H12FNO — CID 143606071

IUPAC(2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol
SMILESC/C(O)=C(/N)C/C=C\CF
InChIInChI=1S/C7H12FNO/c1-6(10)7(9)4-2-3-5-8/h2-3,10H,4-5,9H2,1H3/b3-2-,7-6-
InChIKeyPDUXVWPQNWMLBJ-QPHZJVINSA-N
MW145.18 g/mol
LogP1.65
Rot. Bonds3

About (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol

(2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol (PubChem CID 143606071) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol.

Molecular Properties

Compound Name(2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol
PubChem CID143606071
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol
SMILESC/C(O)=C(/N)C/C=C\CF
InChIInChI=1S/C7H12FNO/c1-6(10)7(9)4-2-3-5-8/h2-3,10H,4-5,9H2,1H3/b3-2-,7-6-
InChIKeyPDUXVWPQNWMLBJ-QPHZJVINSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-3-aminohepta-2,4-dien-2-ol
CID 142171572
(2E,4E)-5-aminohepta-2,4-dien-2-ol
CID 149597832
(2Z)-3-aminohepta-2,6-dien-2-ol
CID 156561271

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol?
The IUPAC name of (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol (CID 143606071) is (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol.
What is the SMILES notation for (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol?
The canonical SMILES for (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol is C/C(O)=C(/N)C/C=C\CF.
What is the InChIKey of (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol?
The InChIKey is PDUXVWPQNWMLBJ-QPHZJVINSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(10)7(9)4-2-3-5-8/h2-3,10H,4-5,9H2,1H3/b3-2-,7-6-.
What are the key properties of (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol?
(2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol has a molecular weight of 145.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-amino-7-fluorohepta-2,5-dien-2-ol is sourced from PubChem (CID 143606071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).