1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane

C12H12F18O2 — CID 175408970

IUPAC1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane
SMILESCOC.FC(OC(F)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.FCC(F)(F)F
InChIInChI=1S/C8H4F14O.C2H2F4.C2H6O/c9-1(7(17,18)19)5(13,14)3(11)23-4(12)6(15,16)2(10)8(20,21)22;3-1-2(4,5)6;1-3-2/h1-4H;1H2;1-2H3
InChIKeyCLMMDNZDTAFVMK-UHFFFAOYSA-N
MW530.19 g/mol
LogP6.45
Rot. Bonds6

About 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane

1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane (PubChem CID 175408970) has the molecular formula C12H12F18O2 and a molecular weight of 530.19 g/mol. Its IUPAC name is 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Name1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane
PubChem CID175408970
Molecular FormulaC12H12F18O2
Molecular Weight530.19 g/mol
Exact Mass530.05
IUPAC Name1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane
SMILESCOC.FC(OC(F)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.FCC(F)(F)F
InChIInChI=1S/C8H4F14O.C2H2F4.C2H6O/c9-1(7(17,18)19)5(13,14)3(11)23-4(12)6(15,16)2(10)8(20,21)22;3-1-2(4,5)6;1-3-2/h1-4H;1H2;1-2H3
InChIKeyCLMMDNZDTAFVMK-UHFFFAOYSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.19
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,3,3,4,5-octafluoropentane
CID 86184237
methoxymethane;1,1,1,2,2-pentafluoropropane;1,1,1,2-tetrafluoroethane
CID 158386104
(2R)-1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
CID 97291102
(2R)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 14272779
(2S)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 10986261
3,3,4,5,5,5-hexafluoropentan-2-ol
CID 2775019
1,1,1,2-tetrafluoroethane;hydrate
CID 87179187
1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 44599462
2,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-3-(trifluoromethyl)pentane
CID 130418426
fluoromethane;fluoro(methoxy)methane;methane;1,1,1-trifluoro-2-methoxyethane
CID 157192080
(2R)-4-[bis[(3R)-2,2,3,4,4,4-hexafluorobutoxy]methoxy]-1,1,1,2,3,3-hexafluorobutane
CID 99769513
4,4-dichloro-1,1,1,2,3,3-hexafluorobutane
CID 12829383

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane?
The IUPAC name of 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane (CID 175408970) is 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane?
The canonical SMILES for 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane is COC.FC(OC(F)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.FCC(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane?
The InChIKey is CLMMDNZDTAFVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F14O.C2H2F4.C2H6O/c9-1(7(17,18)19)5(13,14)3(11)23-4(12)6(15,16)2(10)8(20,21)22;3-1-2(4,5)6;1-3-2/h1-4H;1H2;1-2H3.
What are the key properties of 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane?
1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane has a molecular weight of 530.19 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4-heptafluoro-4-(1,2,2,3,4,4,4-heptafluorobutoxy)butane;methoxymethane;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 175408970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).