4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane

C8H6Cl2F10O — CID 151109419

IUPAC4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane
SMILESFC(F)(F)C(OC(C(F)(F)F)C(F)(F)CCl)C(F)(F)CCl
InChIInChI=1S/C8H6Cl2F10O/c9-1-5(11,12)3(7(15,16)17)21-4(8(18,19)20)6(13,14)2-10/h3-4H,1-2H2
InChIKeyMPUOMQIWMPWPBB-UHFFFAOYSA-N
MW379.02 g/mol
LogP4.61
Rot. Bonds6

About 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane

4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane (PubChem CID 151109419) has the molecular formula C8H6Cl2F10O and a molecular weight of 379.02 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane
PubChem CID151109419
Molecular FormulaC8H6Cl2F10O
Molecular Weight379.02 g/mol
Exact Mass377.96
IUPAC Name4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane
SMILESFC(F)(F)C(OC(C(F)(F)F)C(F)(F)CCl)C(F)(F)CCl
InChIInChI=1S/C8H6Cl2F10O/c9-1-5(11,12)3(7(15,16)17)21-4(8(18,19)20)6(13,14)2-10/h3-4H,1-2H2
InChIKeyMPUOMQIWMPWPBB-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.02
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane?
The IUPAC name of 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane (CID 151109419) is 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane.
What is the SMILES notation for 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane?
The canonical SMILES for 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane is FC(F)(F)C(OC(C(F)(F)F)C(F)(F)CCl)C(F)(F)CCl.
What is the InChIKey of 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane?
The InChIKey is MPUOMQIWMPWPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F10O/c9-1-5(11,12)3(7(15,16)17)21-4(8(18,19)20)6(13,14)2-10/h3-4H,1-2H2.
What are the key properties of 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane?
4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane has a molecular weight of 379.02 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-1,1,1,3,3-pentafluorobutan-2-yl)oxy-1,1,1,3,3-pentafluorobutane is sourced from PubChem (CID 151109419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).