1-butoxy-1-fluorohexan-2-amine

C10H22FNO — CID 139846232

IUPAC1-butoxy-1-fluorohexan-2-amine
SMILESCCCCOC(F)C(N)CCCC
InChIInChI=1S/C10H22FNO/c1-3-5-7-9(12)10(11)13-8-6-4-2/h9-10H,3-8,12H2,1-2H3
InChIKeyFDPLASDXEVBIOZ-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.62
Rot. Bonds8

About 1-butoxy-1-fluorohexan-2-amine

1-butoxy-1-fluorohexan-2-amine (PubChem CID 139846232) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 1-butoxy-1-fluorohexan-2-amine.

Molecular Properties

Compound Name1-butoxy-1-fluorohexan-2-amine
PubChem CID139846232
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name1-butoxy-1-fluorohexan-2-amine
SMILESCCCCOC(F)C(N)CCCC
InChIInChI=1S/C10H22FNO/c1-3-5-7-9(12)10(11)13-8-6-4-2/h9-10H,3-8,12H2,1-2H3
InChIKeyFDPLASDXEVBIOZ-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-1-fluorohexan-2-amine?
The IUPAC name of 1-butoxy-1-fluorohexan-2-amine (CID 139846232) is 1-butoxy-1-fluorohexan-2-amine.
What is the SMILES notation for 1-butoxy-1-fluorohexan-2-amine?
The canonical SMILES for 1-butoxy-1-fluorohexan-2-amine is CCCCOC(F)C(N)CCCC.
What is the InChIKey of 1-butoxy-1-fluorohexan-2-amine?
The InChIKey is FDPLASDXEVBIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-3-5-7-9(12)10(11)13-8-6-4-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-butoxy-1-fluorohexan-2-amine?
1-butoxy-1-fluorohexan-2-amine has a molecular weight of 191.29 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-1-fluorohexan-2-amine is sourced from PubChem (CID 139846232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).