6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane

C13H21F7O — CID 137445671

IUPAC6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane
SMILESCCC(F)CC(C(F)(F)F)C(C)(CC)OCCC(F)(F)F
InChIInChI=1S/C13H21F7O/c1-4-9(14)8-10(13(18,19)20)11(3,5-2)21-7-6-12(15,16)17/h9-10H,4-8H2,1-3H3
InChIKeyVGEMGEBFTJFNSW-UHFFFAOYSA-N
MW326.30 g/mol
LogP5.44
Rot. Bonds8

About 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane

6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane (PubChem CID 137445671) has the molecular formula C13H21F7O and a molecular weight of 326.30 g/mol. Its IUPAC name is 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane.

Molecular Properties

Compound Name6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane
PubChem CID137445671
Molecular FormulaC13H21F7O
Molecular Weight326.30 g/mol
Exact Mass326.15
IUPAC Name6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane
SMILESCCC(F)CC(C(F)(F)F)C(C)(CC)OCCC(F)(F)F
InChIInChI=1S/C13H21F7O/c1-4-9(14)8-10(13(18,19)20)11(3,5-2)21-7-6-12(15,16)17/h9-10H,4-8H2,1-3H3
InChIKeyVGEMGEBFTJFNSW-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.30
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane 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

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
Bis[6-(perfluorohexyl)-2,4-dimethylhex-4-yl) ether
CID 87932263
(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552
3-(5-Ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
CID 11778000
3-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)-4-methyloxolane
CID 85267668
3-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
3-Methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
CID 101115660
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-7-(2-methylpentan-2-yloxy)octane
CID 18377165
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
2,5-Diethyl-3,4-bis(trifluoromethyl)oxolane
CID 20771104
12-(1,1,2,2-Tetrafluoroethoxymethyl)pentacosane
CID 53946168
9-[(1,1,2,2-Tetrafluoroethoxy)methyl]nonadecane
CID 54339885

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane?
The IUPAC name of 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane (CID 137445671) is 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane.
What is the SMILES notation for 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane?
The canonical SMILES for 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane is CCC(F)CC(C(F)(F)F)C(C)(CC)OCCC(F)(F)F.
What is the InChIKey of 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane?
The InChIKey is VGEMGEBFTJFNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F7O/c1-4-9(14)8-10(13(18,19)20)11(3,5-2)21-7-6-12(15,16)17/h9-10H,4-8H2,1-3H3.
What are the key properties of 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane?
6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane has a molecular weight of 326.30 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-4-(trifluoromethyl)-3-(3,3,3-trifluoropropoxy)octane is sourced from PubChem (CID 137445671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).