2-chloro-1,1,1,3-tetrafluoro-2-methylpropane

C4H5ClF4 — CID 14066892

IUPAC2-chloro-1,1,1,3-tetrafluoro-2-methylpropane
SMILESCC(Cl)(CF)C(F)(F)F
InChIInChI=1S/C4H5ClF4/c1-3(5,2-6)4(7,8)9/h2H2,1H3
InChIKeyFECKNSKZXJPQHN-UHFFFAOYSA-N
MW164.53 g/mol
LogP2.52
Rot. Bonds1

About 2-chloro-1,1,1,3-tetrafluoro-2-methylpropane

2-chloro-1,1,1,3-tetrafluoro-2-methylpropane (PubChem CID 14066892) has the molecular formula C4H5ClF4 and a molecular weight of 164.53 g/mol. Its IUPAC name is 2-chloro-1,1,1,3-tetrafluoro-2-methylpropane.

Molecular Properties

Compound Name2-chloro-1,1,1,3-tetrafluoro-2-methylpropane
PubChem CID14066892
Molecular FormulaC4H5ClF4
Molecular Weight164.53 g/mol
Exact Mass164.00
IUPAC Name2-chloro-1,1,1,3-tetrafluoro-2-methylpropane
SMILESCC(Cl)(CF)C(F)(F)F
InChIInChI=1S/C4H5ClF4/c1-3(5,2-6)4(7,8)9/h2H2,1H3
InChIKeyFECKNSKZXJPQHN-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-1,1,1,3-tetrafluoro-2-methylpropane?
The IUPAC name of 2-chloro-1,1,1,3-tetrafluoro-2-methylpropane (CID 14066892) is 2-chloro-1,1,1,3-tetrafluoro-2-methylpropane.
What is the SMILES notation for 2-chloro-1,1,1,3-tetrafluoro-2-methylpropane?
The canonical SMILES for 2-chloro-1,1,1,3-tetrafluoro-2-methylpropane is CC(Cl)(CF)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,3-tetrafluoro-2-methylpropane?
The InChIKey is FECKNSKZXJPQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF4/c1-3(5,2-6)4(7,8)9/h2H2,1H3.
What are the key properties of 2-chloro-1,1,1,3-tetrafluoro-2-methylpropane?
2-chloro-1,1,1,3-tetrafluoro-2-methylpropane has a molecular weight of 164.53 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,3-tetrafluoro-2-methylpropane is sourced from PubChem (CID 14066892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).