[[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol

C9H16FNO — CID 89073861

IUPAC[[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol
SMILESC=C(F)C(C)(C/C=C\C)NCO
InChIInChI=1S/C9H16FNO/c1-4-5-6-9(3,8(2)10)11-7-12/h4-5,11-12H,2,6-7H2,1,3H3/b5-4-
InChIKeyAKVWOEBPTPOQPJ-PLNGDYQASA-N
MW173.23 g/mol
LogP1.73
Rot. Bonds5

About [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol

[[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol (PubChem CID 89073861) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol.

Molecular Properties

Compound Name[[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol
PubChem CID89073861
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol
SMILESC=C(F)C(C)(C/C=C\C)NCO
InChIInChI=1S/C9H16FNO/c1-4-5-6-9(3,8(2)10)11-7-12/h4-5,11-12H,2,6-7H2,1,3H3/b5-4-
InChIKeyAKVWOEBPTPOQPJ-PLNGDYQASA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.73
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 [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol?
The IUPAC name of [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol (CID 89073861) is [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol.
What is the SMILES notation for [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol?
The canonical SMILES for [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol is C=C(F)C(C)(C/C=C\C)NCO.
What is the InChIKey of [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol?
The InChIKey is AKVWOEBPTPOQPJ-PLNGDYQASA-N. The full InChI is InChI=1S/C9H16FNO/c1-4-5-6-9(3,8(2)10)11-7-12/h4-5,11-12H,2,6-7H2,1,3H3/b5-4-.
What are the key properties of [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol?
[[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol has a molecular weight of 173.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol is sourced from PubChem (CID 89073861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).