1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane

C8H12F6O — CID 22483429

IUPAC1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
SMILESFC(F)(F)CCCOCCCC(F)(F)F
InChIInChI=1S/C8H12F6O/c9-7(10,11)3-1-5-15-6-2-4-8(12,13)14/h1-6H2
InChIKeyUBHAQLALRHKFSU-UHFFFAOYSA-N
MW238.17 g/mol
LogP3.69
Rot. Bonds6

About 1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane

1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane (PubChem CID 22483429) has the molecular formula C8H12F6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
PubChem CID22483429
Molecular FormulaC8H12F6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
SMILESFC(F)(F)CCCOCCCC(F)(F)F
InChIInChI=1S/C8H12F6O/c9-7(10,11)3-1-5-15-6-2-4-8(12,13)14/h1-6H2
InChIKeyUBHAQLALRHKFSU-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
CID 162536878
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
9-(4,4,4-trifluorobutoxy)nonan-1-ol
CID 22407961
3-(4,4,4-trifluorobutoxy)propanenitrile
CID 82788617
1-bromo-2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propane
CID 82790057
3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
CID 162744639
2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propanoic acid
CID 82788319
4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane
CID 82789960
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82792259
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890
2-amino-4-(4,4,4-trifluorobutoxy)butanenitrile
CID 82789680

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane?
The IUPAC name of 1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane (CID 22483429) is 1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane.
What is the SMILES notation for 1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane?
The canonical SMILES for 1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane is FC(F)(F)CCCOCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane?
The InChIKey is UBHAQLALRHKFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O/c9-7(10,11)3-1-5-15-6-2-4-8(12,13)14/h1-6H2.
What are the key properties of 1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane?
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane has a molecular weight of 238.17 g/mol, XLogP of 3.69, 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-(4,4,4-trifluorobutoxy)butane is sourced from PubChem (CID 22483429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).