(E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol

C16H32FNO2 — CID 59827431

IUPAC(E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol
SMILESCN(C)[C@@H](CO)[C@H](O)CC/C=C/CCCCCCCF
InChIInChI=1S/C16H32FNO2/c1-18(2)15(14-19)16(20)12-10-8-6-4-3-5-7-9-11-13-17/h6,8,15-16,19-20H,3-5,7,9-14H2,1-2H3/b8-6+/t15-,16+/m0/s1
InChIKeyDWNPRPWBCPPIHO-BWVNKGDMSA-N
MW289.44 g/mol
LogP2.92
Rot. Bonds13

About (E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol

(E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol (PubChem CID 59827431) has the molecular formula C16H32FNO2 and a molecular weight of 289.44 g/mol. Its IUPAC name is (E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol.

Molecular Properties

Compound Name(E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol
PubChem CID59827431
Molecular FormulaC16H32FNO2
Molecular Weight289.44 g/mol
Exact Mass289.24
IUPAC Name(E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol
SMILESCN(C)[C@@H](CO)[C@H](O)CC/C=C/CCCCCCCF
InChIInChI=1S/C16H32FNO2/c1-18(2)15(14-19)16(20)12-10-8-6-4-3-5-7-9-11-13-17/h6,8,15-16,19-20H,3-5,7,9-14H2,1-2H3/b8-6+/t15-,16+/m0/s1
InChIKeyDWNPRPWBCPPIHO-BWVNKGDMSA-N
XLogP2.92
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol?
The IUPAC name of (E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol (CID 59827431) is (E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol.
What is the SMILES notation for (E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol?
The canonical SMILES for (E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol is CN(C)[C@@H](CO)[C@H](O)CC/C=C/CCCCCCCF.
What is the InChIKey of (E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol?
The InChIKey is DWNPRPWBCPPIHO-BWVNKGDMSA-N. The full InChI is InChI=1S/C16H32FNO2/c1-18(2)15(14-19)16(20)12-10-8-6-4-3-5-7-9-11-13-17/h6,8,15-16,19-20H,3-5,7,9-14H2,1-2H3/b8-6+/t15-,16+/m0/s1.
What are the key properties of (E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol?
(E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol has a molecular weight of 289.44 g/mol, XLogP of 2.92, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol is sourced from PubChem (CID 59827431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).