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

C10H20F2O — CID 59610162

IUPAC1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane
SMILESCC(C)C(CCOC(F)F)C(C)C
InChIInChI=1S/C10H20F2O/c1-7(2)9(8(3)4)5-6-13-10(11)12/h7-10H,5-6H2,1-4H3
InChIKeyNOFHZBYKMQPGND-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.54
Rot. Bonds6

About 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane

1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane (PubChem CID 59610162) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane
PubChem CID59610162
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane
SMILESCC(C)C(CCOC(F)F)C(C)C
InChIInChI=1S/C10H20F2O/c1-7(2)9(8(3)4)5-6-13-10(11)12/h7-10H,5-6H2,1-4H3
InChIKeyNOFHZBYKMQPGND-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane?
The IUPAC name of 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane (CID 59610162) is 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane.
What is the SMILES notation for 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane?
The canonical SMILES for 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane is CC(C)C(CCOC(F)F)C(C)C.
What is the InChIKey of 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane?
The InChIKey is NOFHZBYKMQPGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O/c1-7(2)9(8(3)4)5-6-13-10(11)12/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane?
1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane has a molecular weight of 194.26 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-methyl-3-propan-2-ylpentane is sourced from PubChem (CID 59610162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).