3-chloro-1,1,1,3-tetrafluorobutane

C4H5ClF4 — CID 22027026

IUPAC3-chloro-1,1,1,3-tetrafluorobutane
SMILESCC(F)(Cl)CC(F)(F)F
InChIInChI=1S/C4H5ClF4/c1-3(5,6)2-4(7,8)9/h2H2,1H3
InChIKeyBNUSKMGXRXIWAF-UHFFFAOYSA-N
MW164.53 g/mol
LogP2.86
Rot. Bonds1

About 3-chloro-1,1,1,3-tetrafluorobutane

3-chloro-1,1,1,3-tetrafluorobutane (PubChem CID 22027026) has the molecular formula C4H5ClF4 and a molecular weight of 164.53 g/mol. Its IUPAC name is 3-chloro-1,1,1,3-tetrafluorobutane.

Molecular Properties

Compound Name3-chloro-1,1,1,3-tetrafluorobutane
PubChem CID22027026
Molecular FormulaC4H5ClF4
Molecular Weight164.53 g/mol
Exact Mass164.00
IUPAC Name3-chloro-1,1,1,3-tetrafluorobutane
SMILESCC(F)(Cl)CC(F)(F)F
InChIInChI=1S/C4H5ClF4/c1-3(5,6)2-4(7,8)9/h2H2,1H3
InChIKeyBNUSKMGXRXIWAF-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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 3-chloro-1,1,1,3-tetrafluorobutane?
The IUPAC name of 3-chloro-1,1,1,3-tetrafluorobutane (CID 22027026) is 3-chloro-1,1,1,3-tetrafluorobutane.
What is the SMILES notation for 3-chloro-1,1,1,3-tetrafluorobutane?
The canonical SMILES for 3-chloro-1,1,1,3-tetrafluorobutane is CC(F)(Cl)CC(F)(F)F.
What is the InChIKey of 3-chloro-1,1,1,3-tetrafluorobutane?
The InChIKey is BNUSKMGXRXIWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF4/c1-3(5,6)2-4(7,8)9/h2H2,1H3.
What are the key properties of 3-chloro-1,1,1,3-tetrafluorobutane?
3-chloro-1,1,1,3-tetrafluorobutane has a molecular weight of 164.53 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,1,3-tetrafluorobutane is sourced from PubChem (CID 22027026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).