(2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol

C8H14FNO — CID 144851394

IUPAC(2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol
SMILESCC/C(F)=C(N)\C(C)=C(/C)O
InChIInChI=1S/C8H14FNO/c1-4-7(9)8(10)5(2)6(3)11/h11H,4,10H2,1-3H3/b6-5+,8-7-
InChIKeyMRALBYVMPLCRPV-MDAAKZFYSA-N
MW159.20 g/mol
LogP2.39
Rot. Bonds2

About (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol

(2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol (PubChem CID 144851394) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol
PubChem CID144851394
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol
SMILESCC/C(F)=C(N)\C(C)=C(/C)O
InChIInChI=1S/C8H14FNO/c1-4-7(9)8(10)5(2)6(3)11/h11H,4,10H2,1-3H3/b6-5+,8-7-
InChIKeyMRALBYVMPLCRPV-MDAAKZFYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
CID 143962844
(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol
CID 144639004
(2E,4E)-5-amino-3,6-dimethylhepta-2,4,6-trien-2-ol
CID 146288833

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol?
The IUPAC name of (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol (CID 144851394) is (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol.
What is the SMILES notation for (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol?
The canonical SMILES for (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol is CC/C(F)=C(N)\C(C)=C(/C)O.
What is the InChIKey of (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol?
The InChIKey is MRALBYVMPLCRPV-MDAAKZFYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-4-7(9)8(10)5(2)6(3)11/h11H,4,10H2,1-3H3/b6-5+,8-7-.
What are the key properties of (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol?
(2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol has a molecular weight of 159.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol is sourced from PubChem (CID 144851394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).