(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol

C10H16FNO — CID 135229493

IUPAC(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
SMILESC=C(/C=C\C(F)=C/C)[C@@H](N)CCO
InChIInChI=1S/C10H16FNO/c1-3-9(11)5-4-8(2)10(12)6-7-13/h3-5,10,13H,2,6-7,12H2,1H3/b5-4-,9-3+/t10-/m0/s1
InChIKeyBWVWFBOGEORIKZ-MKQYVOAYSA-N
MW185.24 g/mol
LogP1.68
Rot. Bonds5

About (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol

(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol (PubChem CID 135229493) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol.

Molecular Properties

Compound Name(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
PubChem CID135229493
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
SMILESC=C(/C=C\C(F)=C/C)[C@@H](N)CCO
InChIInChI=1S/C10H16FNO/c1-3-9(11)5-4-8(2)10(12)6-7-13/h3-5,10,13H,2,6-7,12H2,1H3/b5-4-,9-3+/t10-/m0/s1
InChIKeyBWVWFBOGEORIKZ-MKQYVOAYSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol?
The IUPAC name of (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol (CID 135229493) is (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol.
What is the SMILES notation for (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol?
The canonical SMILES for (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol is C=C(/C=C\C(F)=C/C)[C@@H](N)CCO.
What is the InChIKey of (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol?
The InChIKey is BWVWFBOGEORIKZ-MKQYVOAYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-3-9(11)5-4-8(2)10(12)6-7-13/h3-5,10,13H,2,6-7,12H2,1H3/b5-4-,9-3+/t10-/m0/s1.
What are the key properties of (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol?
(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-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 (3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol is sourced from PubChem (CID 135229493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).