6-chloro-1,1,1-trifluorohexane

C6H10ClF3 — CID 54556371

IUPAC6-chloro-1,1,1-trifluorohexane
SMILESFC(F)(F)CCCCCCl
InChIInChI=1S/C6H10ClF3/c7-5-3-1-2-4-6(8,9)10/h1-5H2
InChIKeyDZBWNBRYUNTTHQ-UHFFFAOYSA-N
MW174.59 g/mol
LogP3.35
Rot. Bonds4

About 6-chloro-1,1,1-trifluorohexane

6-chloro-1,1,1-trifluorohexane (PubChem CID 54556371) has the molecular formula C6H10ClF3 and a molecular weight of 174.59 g/mol. Its IUPAC name is 6-chloro-1,1,1-trifluorohexane.

Molecular Properties

Compound Name6-chloro-1,1,1-trifluorohexane
PubChem CID54556371
Molecular FormulaC6H10ClF3
Molecular Weight174.59 g/mol
Exact Mass174.04
IUPAC Name6-chloro-1,1,1-trifluorohexane
SMILESFC(F)(F)CCCCCCl
InChIInChI=1S/C6H10ClF3/c7-5-3-1-2-4-6(8,9)10/h1-5H2
InChIKeyDZBWNBRYUNTTHQ-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 6-chloro-1,1,1-trifluorohexane?
The IUPAC name of 6-chloro-1,1,1-trifluorohexane (CID 54556371) is 6-chloro-1,1,1-trifluorohexane.
What is the SMILES notation for 6-chloro-1,1,1-trifluorohexane?
The canonical SMILES for 6-chloro-1,1,1-trifluorohexane is FC(F)(F)CCCCCCl.
What is the InChIKey of 6-chloro-1,1,1-trifluorohexane?
The InChIKey is DZBWNBRYUNTTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF3/c7-5-3-1-2-4-6(8,9)10/h1-5H2.
What are the key properties of 6-chloro-1,1,1-trifluorohexane?
6-chloro-1,1,1-trifluorohexane has a molecular weight of 174.59 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,1,1-trifluorohexane is sourced from PubChem (CID 54556371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).