4,4-bis(trifluoromethyl)octane

C10H16F6 — CID 162621098

IUPAC4,4-bis(trifluoromethyl)octane
SMILESCCCCC(CCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6/c1-3-5-7-8(6-4-2,9(11,12)13)10(14,15)16/h3-7H2,1-2H3
InChIKeyGOCDUJFMJSQXRJ-UHFFFAOYSA-N
MW250.23 g/mol
LogP5.09
Rot. Bonds5

About 4,4-bis(trifluoromethyl)octane

4,4-bis(trifluoromethyl)octane (PubChem CID 162621098) has the molecular formula C10H16F6 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4,4-bis(trifluoromethyl)octane.

Molecular Properties

Compound Name4,4-bis(trifluoromethyl)octane
PubChem CID162621098
Molecular FormulaC10H16F6
Molecular Weight250.23 g/mol
Exact Mass250.12
IUPAC Name4,4-bis(trifluoromethyl)octane
SMILESCCCCC(CCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6/c1-3-5-7-8(6-4-2,9(11,12)13)10(14,15)16/h3-7H2,1-2H3
InChIKeyGOCDUJFMJSQXRJ-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.23
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(trifluoromethyl)octan-4-ol
CID 89097510
5,5-difluorononane
CID 21410163
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
iron(3+);1,1,1-trifluoropentane
CID 161198772
3-methyl-3-(trifluoromethyl)heptane
CID 142541633
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
ethane;2-fluoro-2-methylhexane
CID 142890341
6-butyl-6-fluoroundecane
CID 11424735
1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
CID 90829003
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
13-decyl-14-dodecyl-12-heptyl-13-nonyl-12-octyl-14-undecylheptacosane
CID 90777145
1-(1,1-difluoropentoxy)-1,1-difluoropentane
CID 121434513

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(trifluoromethyl)octane?
The IUPAC name of 4,4-bis(trifluoromethyl)octane (CID 162621098) is 4,4-bis(trifluoromethyl)octane.
What is the SMILES notation for 4,4-bis(trifluoromethyl)octane?
The canonical SMILES for 4,4-bis(trifluoromethyl)octane is CCCCC(CCC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4-bis(trifluoromethyl)octane?
The InChIKey is GOCDUJFMJSQXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6/c1-3-5-7-8(6-4-2,9(11,12)13)10(14,15)16/h3-7H2,1-2H3.
What are the key properties of 4,4-bis(trifluoromethyl)octane?
4,4-bis(trifluoromethyl)octane has a molecular weight of 250.23 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(trifluoromethyl)octane is sourced from PubChem (CID 162621098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).