(E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol

C12H24FNO — CID 15486072

IUPAC(E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol
SMILESCCCCCCC/C=C/[C@H](F)[C@@H](N)CO
InChIInChI=1S/C12H24FNO/c1-2-3-4-5-6-7-8-9-11(13)12(14)10-15/h8-9,11-12,15H,2-7,10,14H2,1H3/b9-8+/t11-,12-/m0/s1
InChIKeyFBOPPMAXHSCKLT-OMJLJAAMSA-N
MW217.33 g/mol
LogP2.56
Rot. Bonds9

About (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol

(E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol (PubChem CID 15486072) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol.

Molecular Properties

Compound Name(E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol
PubChem CID15486072
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name(E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol
SMILESCCCCCCC/C=C/[C@H](F)[C@@H](N)CO
InChIInChI=1S/C12H24FNO/c1-2-3-4-5-6-7-8-9-11(13)12(14)10-15/h8-9,11-12,15H,2-7,10,14H2,1H3/b9-8+/t11-,12-/m0/s1
InChIKeyFBOPPMAXHSCKLT-OMJLJAAMSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol?
The IUPAC name of (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol (CID 15486072) is (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol.
What is the SMILES notation for (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol?
The canonical SMILES for (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol is CCCCCCC/C=C/[C@H](F)[C@@H](N)CO.
What is the InChIKey of (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol?
The InChIKey is FBOPPMAXHSCKLT-OMJLJAAMSA-N. The full InChI is InChI=1S/C12H24FNO/c1-2-3-4-5-6-7-8-9-11(13)12(14)10-15/h8-9,11-12,15H,2-7,10,14H2,1H3/b9-8+/t11-,12-/m0/s1.
What are the key properties of (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol?
(E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol has a molecular weight of 217.33 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol is sourced from PubChem (CID 15486072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).