2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol

C9H18FNO2 — CID 90225693

IUPAC2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol
SMILESCCC/C=C(/F)CC(N)(CO)CO
InChIInChI=1S/C9H18FNO2/c1-2-3-4-8(10)5-9(11,6-12)7-13/h4,12-13H,2-3,5-7,11H2,1H3/b8-4+
InChIKeyZHGZJQIUNOZIRV-XBXARRHUSA-N
MW191.25 g/mol
LogP0.71
Rot. Bonds6

About 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol

2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol (PubChem CID 90225693) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol
PubChem CID90225693
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol
SMILESCCC/C=C(/F)CC(N)(CO)CO
InChIInChI=1S/C9H18FNO2/c1-2-3-4-8(10)5-9(11,6-12)7-13/h4,12-13H,2-3,5-7,11H2,1H3/b8-4+
InChIKeyZHGZJQIUNOZIRV-XBXARRHUSA-N
XLogP0.71
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol (CID 90225693) is 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol is CCC/C=C(/F)CC(N)(CO)CO.
What is the InChIKey of 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol?
The InChIKey is ZHGZJQIUNOZIRV-XBXARRHUSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-2-3-4-8(10)5-9(11,6-12)7-13/h4,12-13H,2-3,5-7,11H2,1H3/b8-4+.
What are the key properties of 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol?
2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol has a molecular weight of 191.25 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(E)-2-fluorohex-2-enyl]propane-1,3-diol is sourced from PubChem (CID 90225693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).