4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane

C10H16F8O — CID 91169102

IUPAC4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane
SMILESCC(F)(F)CCOCCCC(F)(F)F.CC(F)(F)F
InChIInChI=1S/C8H13F5O.C2H3F3/c1-7(9,10)4-6-14-5-2-3-8(11,12)13;1-2(3,4)5/h2-6H2,1H3;1H3
InChIKeyQUAOSMBOBNGDIU-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.96
Rot. Bonds6

About 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane

4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane (PubChem CID 91169102) has the molecular formula C10H16F8O and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane.

Molecular Properties

Compound Name4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane
PubChem CID91169102
Molecular FormulaC10H16F8O
Molecular Weight304.22 g/mol
Exact Mass304.11
IUPAC Name4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane
SMILESCC(F)(F)CCOCCCC(F)(F)F.CC(F)(F)F
InChIInChI=1S/C8H13F5O.C2H3F3/c1-7(9,10)4-6-14-5-2-3-8(11,12)13;1-2(3,4)5/h2-6H2,1H3;1H3
InChIKeyQUAOSMBOBNGDIU-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane?
The IUPAC name of 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane (CID 91169102) is 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane.
What is the SMILES notation for 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane?
The canonical SMILES for 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane is CC(F)(F)CCOCCCC(F)(F)F.CC(F)(F)F.
What is the InChIKey of 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane?
The InChIKey is QUAOSMBOBNGDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5O.C2H3F3/c1-7(9,10)4-6-14-5-2-3-8(11,12)13;1-2(3,4)5/h2-6H2,1H3;1H3.
What are the key properties of 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane?
4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane has a molecular weight of 304.22 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutoxy)-1,1,1-trifluorobutane;1,1,1-trifluoroethane is sourced from PubChem (CID 91169102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).