1-(1,2,2,2-tetrafluoroethoxy)hexane

C8H14F4O — CID 152744649

IUPAC1-(1,2,2,2-tetrafluoroethoxy)hexane
SMILESCCCCCCOC(F)C(F)(F)F
InChIInChI=1S/C8H14F4O/c1-2-3-4-5-6-13-7(9)8(10,11)12/h7H,2-6H2,1H3
InChIKeyMQGQBQUZZHGCCX-UHFFFAOYSA-N
MW202.19 g/mol
LogP3.44
Rot. Bonds6

About 1-(1,2,2,2-tetrafluoroethoxy)hexane

1-(1,2,2,2-tetrafluoroethoxy)hexane (PubChem CID 152744649) has the molecular formula C8H14F4O and a molecular weight of 202.19 g/mol. Its IUPAC name is 1-(1,2,2,2-tetrafluoroethoxy)hexane.

Molecular Properties

Compound Name1-(1,2,2,2-tetrafluoroethoxy)hexane
PubChem CID152744649
Molecular FormulaC8H14F4O
Molecular Weight202.19 g/mol
Exact Mass202.10
IUPAC Name1-(1,2,2,2-tetrafluoroethoxy)hexane
SMILESCCCCCCOC(F)C(F)(F)F
InChIInChI=1S/C8H14F4O/c1-2-3-4-5-6-13-7(9)8(10,11)12/h7H,2-6H2,1H3
InChIKeyMQGQBQUZZHGCCX-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 53.44
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

1-(difluoromethoxy)decane
CID 14400535
1-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxyheptane
CID 146488162
1-(1-fluoroethoxy)tridecane
CID 175410550
1-(3,3,3-trifluoro-1-heptoxypropoxy)heptane
CID 141447005
1-(1-fluorobutoxy)heptane
CID 87417089
4,4,4-trifluoro-3-heptoxybutan-1-ol
CID 19905066
3-dodecoxy-1,1,2-trifluorobutan-1-ol
CID 88524929
3,3,3-trifluoro-2-hexoxypropanoic acid
CID 22913377
butyl 3,3,3-trifluoro-2-hexoxypropanoate
CID 22913455
1-pentan-3-yloxydecane
CID 173279604
icosoxymethanediol
CID 175975847
octoxymethanediamine
CID 142625053

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,2-tetrafluoroethoxy)hexane?
The IUPAC name of 1-(1,2,2,2-tetrafluoroethoxy)hexane (CID 152744649) is 1-(1,2,2,2-tetrafluoroethoxy)hexane.
What is the SMILES notation for 1-(1,2,2,2-tetrafluoroethoxy)hexane?
The canonical SMILES for 1-(1,2,2,2-tetrafluoroethoxy)hexane is CCCCCCOC(F)C(F)(F)F.
What is the InChIKey of 1-(1,2,2,2-tetrafluoroethoxy)hexane?
The InChIKey is MQGQBQUZZHGCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O/c1-2-3-4-5-6-13-7(9)8(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 1-(1,2,2,2-tetrafluoroethoxy)hexane?
1-(1,2,2,2-tetrafluoroethoxy)hexane has a molecular weight of 202.19 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,2-tetrafluoroethoxy)hexane is sourced from PubChem (CID 152744649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).