1-(3-fluoro-2-methylpropoxy)hexane

C10H21FO — CID 22002867

IUPAC1-(3-fluoro-2-methylpropoxy)hexane
SMILESCCCCCCOCC(C)CF
InChIInChI=1S/C10H21FO/c1-3-4-5-6-7-12-9-10(2)8-11/h10H,3-9H2,1-2H3
InChIKeyNCKPOLJEAUMPQP-UHFFFAOYSA-N
MW176.27 g/mol
LogP3.19
Rot. Bonds8

About 1-(3-fluoro-2-methylpropoxy)hexane

1-(3-fluoro-2-methylpropoxy)hexane (PubChem CID 22002867) has the molecular formula C10H21FO and a molecular weight of 176.27 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylpropoxy)hexane.

Molecular Properties

Compound Name1-(3-fluoro-2-methylpropoxy)hexane
PubChem CID22002867
Molecular FormulaC10H21FO
Molecular Weight176.27 g/mol
Exact Mass176.16
IUPAC Name1-(3-fluoro-2-methylpropoxy)hexane
SMILESCCCCCCOCC(C)CF
InChIInChI=1S/C10H21FO/c1-3-4-5-6-7-12-9-10(2)8-11/h10H,3-9H2,1-2H3
InChIKeyNCKPOLJEAUMPQP-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-fluoro-2-methylpropoxy)hexane?
The IUPAC name of 1-(3-fluoro-2-methylpropoxy)hexane (CID 22002867) is 1-(3-fluoro-2-methylpropoxy)hexane.
What is the SMILES notation for 1-(3-fluoro-2-methylpropoxy)hexane?
The canonical SMILES for 1-(3-fluoro-2-methylpropoxy)hexane is CCCCCCOCC(C)CF.
What is the InChIKey of 1-(3-fluoro-2-methylpropoxy)hexane?
The InChIKey is NCKPOLJEAUMPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO/c1-3-4-5-6-7-12-9-10(2)8-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-methylpropoxy)hexane?
1-(3-fluoro-2-methylpropoxy)hexane has a molecular weight of 176.27 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylpropoxy)hexane is sourced from PubChem (CID 22002867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).