2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane

C10H20F2O — CID 59610850

IUPAC2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane
SMILESCC(C)C(C(C)C)C(C)OC(F)F
InChIInChI=1S/C10H20F2O/c1-6(2)9(7(3)4)8(5)13-10(11)12/h6-10H,1-5H3
InChIKeyXEIMEHKOUDEHGQ-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.54
Rot. Bonds5

About 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane

2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane (PubChem CID 59610850) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane
PubChem CID59610850
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane
SMILESCC(C)C(C(C)C)C(C)OC(F)F
InChIInChI=1S/C10H20F2O/c1-6(2)9(7(3)4)8(5)13-10(11)12/h6-10H,1-5H3
InChIKeyXEIMEHKOUDEHGQ-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane?
The IUPAC name of 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane (CID 59610850) is 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane.
What is the SMILES notation for 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane?
The canonical SMILES for 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane is CC(C)C(C(C)C)C(C)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane?
The InChIKey is XEIMEHKOUDEHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O/c1-6(2)9(7(3)4)8(5)13-10(11)12/h6-10H,1-5H3.
What are the key properties of 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane?
2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane has a molecular weight of 194.26 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane is sourced from PubChem (CID 59610850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).