2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane

C10H10F12 — CID 15576974

IUPAC2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane
SMILESCC(CCC(F)(C(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H10F12/c1-4(8(15,16)5(11)9(17,18)19)2-3-7(14,6(12)13)10(20,21)22/h4-6H,2-3H2,1H3
InChIKeyNLGCSDCZOYXNBL-UHFFFAOYSA-N
MW358.17 g/mol
LogP5.47
Rot. Bonds6

About 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane

2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane (PubChem CID 15576974) has the molecular formula C10H10F12 and a molecular weight of 358.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane
PubChem CID15576974
Molecular FormulaC10H10F12
Molecular Weight358.17 g/mol
Exact Mass358.06
IUPAC Name2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane
SMILESCC(CCC(F)(C(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H10F12/c1-4(8(15,16)5(11)9(17,18)19)2-3-7(14,6(12)13)10(20,21)22/h4-6H,2-3H2,1H3
InChIKeyNLGCSDCZOYXNBL-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.17
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-methyldecane
CID 22011097
3-(Perfluorohexyl)-2-methylpropane
CID 22011095
1,1,1,2,2,3,3,4,4-Nonafluoro-7-methyloctane
CID 22011096
1,1,1,2,2,3,3,4,4-Nonafluoro-6-methylheptane
CID 22011098
Cyclohexane, (1,1,2,3,3,3-hexafluoropropyl)-
CID 10823560
Heptafluoroisopropyl-2,3,5,6-tetrafluoro-benzene
CID 22173776
Difluoromethylcycloheptane
CID 54028758
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylcycloheptane
CID 59248249
Trifluoromethylcyclooctane
CID 90689410
5-Ethyl-6-iodo-1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 132501147
Cyclopentane, (1,1,2,3,3,3-hexafluoropropyl)-
CID 10632697
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylcyclohexane
CID 10962173

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane (CID 15576974) is 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane is CC(CCC(F)(C(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane?
The InChIKey is NLGCSDCZOYXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12/c1-4(8(15,16)5(11)9(17,18)19)2-3-7(14,6(12)13)10(20,21)22/h4-6H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane?
2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane has a molecular weight of 358.17 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,2,6,6,7,8,8,8-decafluoro-5-methyloctane is sourced from PubChem (CID 15576974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).