2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane

C7H10F6 — CID 15576973

IUPAC2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane
SMILESCCC(C)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-4(2)6(10,5(8)9)7(11,12)13/h4-5H,3H2,1-2H3
InChIKeyNNYCMFMXEXKWQQ-UHFFFAOYSA-N
MW208.14 g/mol
LogP3.57
Rot. Bonds3

About 2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane

2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane (PubChem CID 15576973) has the molecular formula C7H10F6 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane
PubChem CID15576973
Molecular FormulaC7H10F6
Molecular Weight208.14 g/mol
Exact Mass208.07
IUPAC Name2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane
SMILESCCC(C)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-4(2)6(10,5(8)9)7(11,12)13/h4-5H,3H2,1-2H3
InChIKeyNNYCMFMXEXKWQQ-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane (CID 15576973) is 2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane is CCC(C)C(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane?
The InChIKey is NNYCMFMXEXKWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6/c1-3-4(2)6(10,5(8)9)7(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane?
2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane has a molecular weight of 208.14 g/mol, XLogP of 3.57, 3 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-tetrafluoro-3-methylpentane is sourced from PubChem (CID 15576973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).