1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane

C12H20F6 — CID 162503458

IUPAC1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane
SMILESCC(C)CCC(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C12H20F6/c1-9(2)3-4-10(5-7-11(13,14)15)6-8-12(16,17)18/h9-10H,3-8H2,1-2H3
InChIKeyAULCNYDWPKIGSL-UHFFFAOYSA-N
MW278.28 g/mol
LogP5.72
Rot. Bonds7

About 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane

1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane (PubChem CID 162503458) has the molecular formula C12H20F6 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane.

Molecular Properties

Compound Name1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane
PubChem CID162503458
Molecular FormulaC12H20F6
Molecular Weight278.28 g/mol
Exact Mass278.15
IUPAC Name1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane
SMILESCC(C)CCC(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C12H20F6/c1-9(2)3-4-10(5-7-11(13,14)15)6-8-12(16,17)18/h9-10H,3-8H2,1-2H3
InChIKeyAULCNYDWPKIGSL-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.28
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
1,1,1-trifluoro-6-methyl-4-propylheptane
CID 162503503
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
CID 169212435
2,8-dimethyl-5-propylnonane
CID 57014492
7-(3,3,3-trifluoropropyl)tridecane
CID 126695367
1,1,1-trifluoro-8-methylnon-4-ene
CID 123891498
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
6,6-difluoro-2,10-dimethylundecane
CID 169289858
6-chloro-4-ethyl-1,1,1-trifluorohexane
CID 174468654

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane?
The IUPAC name of 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane (CID 162503458) is 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane.
What is the SMILES notation for 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane?
The canonical SMILES for 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane is CC(C)CCC(CCC(F)(F)F)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane?
The InChIKey is AULCNYDWPKIGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6/c1-9(2)3-4-10(5-7-11(13,14)15)6-8-12(16,17)18/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane?
1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane has a molecular weight of 278.28 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane is sourced from PubChem (CID 162503458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).