1-amino-2-fluoro-4-methylpentan-3-ol

C6H14FNO — CID 90134615

IUPAC1-amino-2-fluoro-4-methylpentan-3-ol
SMILESCC(C)C(O)C(F)CN
InChIInChI=1S/C6H14FNO/c1-4(2)6(9)5(7)3-8/h4-6,9H,3,8H2,1-2H3
InChIKeyOOSGFISPIIMHTD-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.30
Rot. Bonds3

About 1-amino-2-fluoro-4-methylpentan-3-ol

1-amino-2-fluoro-4-methylpentan-3-ol (PubChem CID 90134615) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 1-amino-2-fluoro-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-amino-2-fluoro-4-methylpentan-3-ol
PubChem CID90134615
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name1-amino-2-fluoro-4-methylpentan-3-ol
SMILESCC(C)C(O)C(F)CN
InChIInChI=1S/C6H14FNO/c1-4(2)6(9)5(7)3-8/h4-6,9H,3,8H2,1-2H3
InChIKeyOOSGFISPIIMHTD-UHFFFAOYSA-N
XLogP0.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-fluoro-4-methylpentan-3-ol?
The IUPAC name of 1-amino-2-fluoro-4-methylpentan-3-ol (CID 90134615) is 1-amino-2-fluoro-4-methylpentan-3-ol.
What is the SMILES notation for 1-amino-2-fluoro-4-methylpentan-3-ol?
The canonical SMILES for 1-amino-2-fluoro-4-methylpentan-3-ol is CC(C)C(O)C(F)CN.
What is the InChIKey of 1-amino-2-fluoro-4-methylpentan-3-ol?
The InChIKey is OOSGFISPIIMHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-4(2)6(9)5(7)3-8/h4-6,9H,3,8H2,1-2H3.
What are the key properties of 1-amino-2-fluoro-4-methylpentan-3-ol?
1-amino-2-fluoro-4-methylpentan-3-ol has a molecular weight of 135.18 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-fluoro-4-methylpentan-3-ol is sourced from PubChem (CID 90134615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).