[(3S,4R)-3-amino-4-fluoropentyl] formate

C6H12FNO2 — CID 134412825

IUPAC[(3S,4R)-3-amino-4-fluoropentyl] formate
SMILESC[C@@H](F)[C@@H](N)CCOC=O
InChIInChI=1S/C6H12FNO2/c1-5(7)6(8)2-3-10-4-9/h4-6H,2-3,8H2,1H3/t5-,6+/m1/s1
InChIKeyWHUKGRDNHUMEKZ-RITPCOANSA-N
MW149.16 g/mol
LogP0.23
Rot. Bonds5

About [(3S,4R)-3-amino-4-fluoropentyl] formate

[(3S,4R)-3-amino-4-fluoropentyl] formate (PubChem CID 134412825) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-fluoropentyl] formate.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-fluoropentyl] formate
PubChem CID134412825
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name[(3S,4R)-3-amino-4-fluoropentyl] formate
SMILESC[C@@H](F)[C@@H](N)CCOC=O
InChIInChI=1S/C6H12FNO2/c1-5(7)6(8)2-3-10-4-9/h4-6H,2-3,8H2,1H3/t5-,6+/m1/s1
InChIKeyWHUKGRDNHUMEKZ-RITPCOANSA-N
XLogP0.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-fluoropentyl] formate?
The IUPAC name of [(3S,4R)-3-amino-4-fluoropentyl] formate (CID 134412825) is [(3S,4R)-3-amino-4-fluoropentyl] formate.
What is the SMILES notation for [(3S,4R)-3-amino-4-fluoropentyl] formate?
The canonical SMILES for [(3S,4R)-3-amino-4-fluoropentyl] formate is C[C@@H](F)[C@@H](N)CCOC=O.
What is the InChIKey of [(3S,4R)-3-amino-4-fluoropentyl] formate?
The InChIKey is WHUKGRDNHUMEKZ-RITPCOANSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-5(7)6(8)2-3-10-4-9/h4-6H,2-3,8H2,1H3/t5-,6+/m1/s1.
What are the key properties of [(3S,4R)-3-amino-4-fluoropentyl] formate?
[(3S,4R)-3-amino-4-fluoropentyl] formate has a molecular weight of 149.16 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-fluoropentyl] formate is sourced from PubChem (CID 134412825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).