(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol

C9H14FNO — CID 176967958

IUPAC(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol
SMILESC=C(F)/C=C\C(=C)C(O)CCN
InChIInChI=1S/C9H14FNO/c1-7(3-4-8(2)10)9(12)5-6-11/h3-4,9,12H,1-2,5-6,11H2/b4-3-
InChIKeyDONDEBSPNVJFIQ-ARJAWSKDSA-N
MW171.21 g/mol
LogP1.29
Rot. Bonds5

About (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol

(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol (PubChem CID 176967958) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol.

Molecular Properties

Compound Name(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol
PubChem CID176967958
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol
SMILESC=C(F)/C=C\C(=C)C(O)CCN
InChIInChI=1S/C9H14FNO/c1-7(3-4-8(2)10)9(12)5-6-11/h3-4,9,12H,1-2,5-6,11H2/b4-3-
InChIKeyDONDEBSPNVJFIQ-ARJAWSKDSA-N
XLogP1.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.29
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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol?
The IUPAC name of (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol (CID 176967958) is (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol.
What is the SMILES notation for (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol?
The canonical SMILES for (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol is C=C(F)/C=C\C(=C)C(O)CCN.
What is the InChIKey of (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol?
The InChIKey is DONDEBSPNVJFIQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H14FNO/c1-7(3-4-8(2)10)9(12)5-6-11/h3-4,9,12H,1-2,5-6,11H2/b4-3-.
What are the key properties of (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol?
(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol has a molecular weight of 171.21 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol is sourced from PubChem (CID 176967958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).