3-amino-1-fluoropentan-2-ol

C5H12FNO — CID 10772967

IUPAC3-amino-1-fluoropentan-2-ol
SMILESCCC(N)C(O)CF
InChIInChI=1S/C5H12FNO/c1-2-4(7)5(8)3-6/h4-5,8H,2-3,7H2,1H3
InChIKeyOUPNBOQJQKWHOP-UHFFFAOYSA-N
MW121.15 g/mol
LogP0.05
Rot. Bonds3

About 3-amino-1-fluoropentan-2-ol

3-amino-1-fluoropentan-2-ol (PubChem CID 10772967) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is 3-amino-1-fluoropentan-2-ol.

Molecular Properties

Compound Name3-amino-1-fluoropentan-2-ol
PubChem CID10772967
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC Name3-amino-1-fluoropentan-2-ol
SMILESCCC(N)C(O)CF
InChIInChI=1S/C5H12FNO/c1-2-4(7)5(8)3-6/h4-5,8H,2-3,7H2,1H3
InChIKeyOUPNBOQJQKWHOP-UHFFFAOYSA-N
XLogP0.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-fluoropentan-2-ol?
The IUPAC name of 3-amino-1-fluoropentan-2-ol (CID 10772967) is 3-amino-1-fluoropentan-2-ol.
What is the SMILES notation for 3-amino-1-fluoropentan-2-ol?
The canonical SMILES for 3-amino-1-fluoropentan-2-ol is CCC(N)C(O)CF.
What is the InChIKey of 3-amino-1-fluoropentan-2-ol?
The InChIKey is OUPNBOQJQKWHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-2-4(7)5(8)3-6/h4-5,8H,2-3,7H2,1H3.
What are the key properties of 3-amino-1-fluoropentan-2-ol?
3-amino-1-fluoropentan-2-ol has a molecular weight of 121.15 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-fluoropentan-2-ol is sourced from PubChem (CID 10772967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).