3-amino-1-fluorohexan-2-ol

C6H14FNO — CID 20670268

IUPAC3-amino-1-fluorohexan-2-ol
SMILESCCCC(N)C(O)CF
InChIInChI=1S/C6H14FNO/c1-2-3-5(8)6(9)4-7/h5-6,9H,2-4,8H2,1H3
InChIKeyLEUBLIDJYLNTKZ-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.44
Rot. Bonds4

About 3-amino-1-fluorohexan-2-ol

3-amino-1-fluorohexan-2-ol (PubChem CID 20670268) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-amino-1-fluorohexan-2-ol.

Molecular Properties

Compound Name3-amino-1-fluorohexan-2-ol
PubChem CID20670268
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-amino-1-fluorohexan-2-ol
SMILESCCCC(N)C(O)CF
InChIInChI=1S/C6H14FNO/c1-2-3-5(8)6(9)4-7/h5-6,9H,2-4,8H2,1H3
InChIKeyLEUBLIDJYLNTKZ-UHFFFAOYSA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-fluorohexan-2-ol?
The IUPAC name of 3-amino-1-fluorohexan-2-ol (CID 20670268) is 3-amino-1-fluorohexan-2-ol.
What is the SMILES notation for 3-amino-1-fluorohexan-2-ol?
The canonical SMILES for 3-amino-1-fluorohexan-2-ol is CCCC(N)C(O)CF.
What is the InChIKey of 3-amino-1-fluorohexan-2-ol?
The InChIKey is LEUBLIDJYLNTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-2-3-5(8)6(9)4-7/h5-6,9H,2-4,8H2,1H3.
What are the key properties of 3-amino-1-fluorohexan-2-ol?
3-amino-1-fluorohexan-2-ol has a molecular weight of 135.18 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-fluorohexan-2-ol is sourced from PubChem (CID 20670268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).