ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane

C10H18F6 — CID 169212435

IUPACethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
SMILESCC.CC(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C8H12F6.C2H6/c1-6(2-4-7(9,10)11)3-5-8(12,13)14;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyQSIGNNGLLFNZPG-UHFFFAOYSA-N
MW252.24 g/mol
LogP5.33
Rot. Bonds4

About ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane

ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane (PubChem CID 169212435) has the molecular formula C10H18F6 and a molecular weight of 252.24 g/mol. Its IUPAC name is ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane.

Molecular Properties

Compound Nameethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
PubChem CID169212435
Molecular FormulaC10H18F6
Molecular Weight252.24 g/mol
Exact Mass252.13
IUPAC Nameethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
SMILESCC.CC(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C8H12F6.C2H6/c1-6(2-4-7(9,10)11)3-5-8(12,13)14;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyQSIGNNGLLFNZPG-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.24
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
1,1,1-trifluoro-4-methyldecane
CID 147899191
1,1,1-trichloro-6,6,6-trifluoro-3-methylhexane
CID 174826458
8,8,8-trifluoro-5-methyloctanoic acid
CID 87995359
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136
1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane
CID 162503458
ethane;pentan-2-ol;1,1,1-trifluorobutane
CID 143009498
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
6,6,6-trifluoro-N,2-dimethylhexan-1-amine
CID 116536282
1,1,1-trifluoro-6,7-dimethyloctane
CID 162600398
1,1,1,7,7,7-hexafluoro-2-methylheptane
CID 175563823

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane?
The IUPAC name of ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane (CID 169212435) is ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane.
What is the SMILES notation for ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane?
The canonical SMILES for ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane is CC.CC(CCC(F)(F)F)CCC(F)(F)F.
What is the InChIKey of ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane?
The InChIKey is QSIGNNGLLFNZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6.C2H6/c1-6(2-4-7(9,10)11)3-5-8(12,13)14;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane?
ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane has a molecular weight of 252.24 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane is sourced from PubChem (CID 169212435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).