2-chloro-4-fluoro-3-methoxyhexane

C7H14ClFO — CID 123343631

IUPAC2-chloro-4-fluoro-3-methoxyhexane
SMILESCCC(F)C(OC)C(C)Cl
InChIInChI=1S/C7H14ClFO/c1-4-6(9)7(10-3)5(2)8/h5-7H,4H2,1-3H3
InChIKeyAEHZSXINXNCHDG-UHFFFAOYSA-N
MW168.64 g/mol
LogP2.38
Rot. Bonds4

About 2-chloro-4-fluoro-3-methoxyhexane

2-chloro-4-fluoro-3-methoxyhexane (PubChem CID 123343631) has the molecular formula C7H14ClFO and a molecular weight of 168.64 g/mol. Its IUPAC name is 2-chloro-4-fluoro-3-methoxyhexane.

Molecular Properties

Compound Name2-chloro-4-fluoro-3-methoxyhexane
PubChem CID123343631
Molecular FormulaC7H14ClFO
Molecular Weight168.64 g/mol
Exact Mass168.07
IUPAC Name2-chloro-4-fluoro-3-methoxyhexane
SMILESCCC(F)C(OC)C(C)Cl
InChIInChI=1S/C7H14ClFO/c1-4-6(9)7(10-3)5(2)8/h5-7H,4H2,1-3H3
InChIKeyAEHZSXINXNCHDG-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.64
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-3-methoxyhexane?
The IUPAC name of 2-chloro-4-fluoro-3-methoxyhexane (CID 123343631) is 2-chloro-4-fluoro-3-methoxyhexane.
What is the SMILES notation for 2-chloro-4-fluoro-3-methoxyhexane?
The canonical SMILES for 2-chloro-4-fluoro-3-methoxyhexane is CCC(F)C(OC)C(C)Cl.
What is the InChIKey of 2-chloro-4-fluoro-3-methoxyhexane?
The InChIKey is AEHZSXINXNCHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClFO/c1-4-6(9)7(10-3)5(2)8/h5-7H,4H2,1-3H3.
What are the key properties of 2-chloro-4-fluoro-3-methoxyhexane?
2-chloro-4-fluoro-3-methoxyhexane has a molecular weight of 168.64 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-3-methoxyhexane is sourced from PubChem (CID 123343631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).