1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane

C9H16ClF3O — CID 66276095

IUPAC1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane
SMILESCC(OCCCCCCCl)C(F)(F)F
InChIInChI=1S/C9H16ClF3O/c1-8(9(11,12)13)14-7-5-3-2-4-6-10/h8H,2-7H2,1H3
InChIKeyFSGZUIAPKLILSP-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.75
Rot. Bonds7

About 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane

1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane (PubChem CID 66276095) has the molecular formula C9H16ClF3O and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane.

Molecular Properties

Compound Name1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane
PubChem CID66276095
Molecular FormulaC9H16ClF3O
Molecular Weight232.67 g/mol
Exact Mass232.08
IUPAC Name1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane
SMILESCC(OCCCCCCCl)C(F)(F)F
InChIInChI=1S/C9H16ClF3O/c1-8(9(11,12)13)14-7-5-3-2-4-6-10/h8H,2-7H2,1H3
InChIKeyFSGZUIAPKLILSP-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane?
The IUPAC name of 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane (CID 66276095) is 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane.
What is the SMILES notation for 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane?
The canonical SMILES for 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane is CC(OCCCCCCCl)C(F)(F)F.
What is the InChIKey of 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane?
The InChIKey is FSGZUIAPKLILSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF3O/c1-8(9(11,12)13)14-7-5-3-2-4-6-10/h8H,2-7H2,1H3.
What are the key properties of 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane?
1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane has a molecular weight of 232.67 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(1,1,1-trifluoropropan-2-yloxy)hexane is sourced from PubChem (CID 66276095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).