3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane

C7H8Cl2F6O — CID 163671932

IUPAC3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane
SMILESCC(Cl)(CC(F)(F)F)OC(Cl)CC(F)(F)F
InChIInChI=1S/C7H8Cl2F6O/c1-5(9,3-7(13,14)15)16-4(8)2-6(10,11)12/h4H,2-3H2,1H3
InChIKeyJDHXRQUMDGKBAG-UHFFFAOYSA-N
MW293.03 g/mol
LogP4.43
Rot. Bonds4

About 3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane

3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane (PubChem CID 163671932) has the molecular formula C7H8Cl2F6O and a molecular weight of 293.03 g/mol. Its IUPAC name is 3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane.

Molecular Properties

Compound Name3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane
PubChem CID163671932
Molecular FormulaC7H8Cl2F6O
Molecular Weight293.03 g/mol
Exact Mass291.99
IUPAC Name3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane
SMILESCC(Cl)(CC(F)(F)F)OC(Cl)CC(F)(F)F
InChIInChI=1S/C7H8Cl2F6O/c1-5(9,3-7(13,14)15)16-4(8)2-6(10,11)12/h4H,2-3H2,1H3
InChIKeyJDHXRQUMDGKBAG-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.03
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane?
The IUPAC name of 3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane (CID 163671932) is 3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane.
What is the SMILES notation for 3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane?
The canonical SMILES for 3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane is CC(Cl)(CC(F)(F)F)OC(Cl)CC(F)(F)F.
What is the InChIKey of 3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane?
The InChIKey is JDHXRQUMDGKBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2F6O/c1-5(9,3-7(13,14)15)16-4(8)2-6(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane?
3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane has a molecular weight of 293.03 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(1-chloro-3,3,3-trifluoropropoxy)-1,1,1-trifluorobutane is sourced from PubChem (CID 163671932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).