(2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol

C7H12FNO — CID 143872707

IUPAC(2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol
SMILESC=CCC/C(F)=C/C(N)O
InChIInChI=1S/C7H12FNO/c1-2-3-4-6(8)5-7(9)10/h2,5,7,10H,1,3-4,9H2/b6-5-
InChIKeyQMEYTWOKGRTGSE-WAYWQWQTSA-N
MW145.18 g/mol
LogP1.08
Rot. Bonds4

About (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol

(2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol (PubChem CID 143872707) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol
PubChem CID143872707
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol
SMILESC=CCC/C(F)=C/C(N)O
InChIInChI=1S/C7H12FNO/c1-2-3-4-6(8)5-7(9)10/h2,5,7,10H,1,3-4,9H2/b6-5-
InChIKeyQMEYTWOKGRTGSE-WAYWQWQTSA-N
XLogP1.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol?
The IUPAC name of (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol (CID 143872707) is (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol.
What is the SMILES notation for (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol?
The canonical SMILES for (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol is C=CCC/C(F)=C/C(N)O.
What is the InChIKey of (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol?
The InChIKey is QMEYTWOKGRTGSE-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12FNO/c1-2-3-4-6(8)5-7(9)10/h2,5,7,10H,1,3-4,9H2/b6-5-.
What are the key properties of (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol?
(2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol has a molecular weight of 145.18 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol is sourced from PubChem (CID 143872707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).