1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane

C7H10Cl3F3O — CID 23044768

IUPAC1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane
SMILESFC(F)(F)CCCOC(Cl)CC(Cl)Cl
InChIInChI=1S/C7H10Cl3F3O/c8-5(9)4-6(10)14-3-1-2-7(11,12)13/h5-6H,1-4H2
InChIKeyGNHOOBMWCJWBFT-UHFFFAOYSA-N
MW273.51 g/mol
LogP4.10
Rot. Bonds6

About 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane

1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane (PubChem CID 23044768) has the molecular formula C7H10Cl3F3O and a molecular weight of 273.51 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane
PubChem CID23044768
Molecular FormulaC7H10Cl3F3O
Molecular Weight273.51 g/mol
Exact Mass271.97
IUPAC Name1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane
SMILESFC(F)(F)CCCOC(Cl)CC(Cl)Cl
InChIInChI=1S/C7H10Cl3F3O/c8-5(9)4-6(10)14-3-1-2-7(11,12)13/h5-6H,1-4H2
InChIKeyGNHOOBMWCJWBFT-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Butoxy-2,2,4-trichloro-1,1,1-trifluorobutane
CID 14797082
1,1-Dichloro-1-(1-chloro-3,3,3-trifluoropropoxy)-3,3,3-trifluoropropane
CID 142602918
1-Chloro-3-(2,2,2-trifluoroethoxy)propane
CID 24689325
1,1-Difluoro-2,2-dichloroethyl butyl ether
CID 129853025
Propane, 1-(2,2-dichloro-1,1-difluoroethoxy)-
CID 129853038
1-Chloro-4-(2,2,3,3-tetrafluoropropoxy)butane
CID 13748154
3-(2,2,3,3,4,4,4-Heptafluorobutoxy)propyl chloride
CID 21225311
1,1-Dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane
CID 54069825
4-Butoxy-2,4,4-trichloro-1,1,1-trifluorobutane
CID 54329741
1-Chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane
CID 57245569
1-Chloro-4-(2,2,2-trifluoroethoxy)butane
CID 61749225
2,2,4-Trichloro-4-ethoxy-1,1,1-trifluorobutane
CID 88186539

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane?
The IUPAC name of 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane (CID 23044768) is 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane.
What is the SMILES notation for 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane?
The canonical SMILES for 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane is FC(F)(F)CCCOC(Cl)CC(Cl)Cl.
What is the InChIKey of 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane?
The InChIKey is GNHOOBMWCJWBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl3F3O/c8-5(9)4-6(10)14-3-1-2-7(11,12)13/h5-6H,1-4H2.
What are the key properties of 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane?
1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane has a molecular weight of 273.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(1,3,3-trichloropropoxy)butane is sourced from PubChem (CID 23044768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).