3-(difluoromethoxymethyl)-2,2-dimethylpentane

C9H18F2O — CID 58573327

IUPAC3-(difluoromethoxymethyl)-2,2-dimethylpentane
SMILESCCC(COC(F)F)C(C)(C)C
InChIInChI=1S/C9H18F2O/c1-5-7(9(2,3)4)6-12-8(10)11/h7-8H,5-6H2,1-4H3
InChIKeyULTNUDRCYPCSRA-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.30
Rot. Bonds4

About 3-(difluoromethoxymethyl)-2,2-dimethylpentane

3-(difluoromethoxymethyl)-2,2-dimethylpentane (PubChem CID 58573327) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-2,2-dimethylpentane.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-2,2-dimethylpentane
PubChem CID58573327
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name3-(difluoromethoxymethyl)-2,2-dimethylpentane
SMILESCCC(COC(F)F)C(C)(C)C
InChIInChI=1S/C9H18F2O/c1-5-7(9(2,3)4)6-12-8(10)11/h7-8H,5-6H2,1-4H3
InChIKeyULTNUDRCYPCSRA-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-2,2-dimethylpentane?
The IUPAC name of 3-(difluoromethoxymethyl)-2,2-dimethylpentane (CID 58573327) is 3-(difluoromethoxymethyl)-2,2-dimethylpentane.
What is the SMILES notation for 3-(difluoromethoxymethyl)-2,2-dimethylpentane?
The canonical SMILES for 3-(difluoromethoxymethyl)-2,2-dimethylpentane is CCC(COC(F)F)C(C)(C)C.
What is the InChIKey of 3-(difluoromethoxymethyl)-2,2-dimethylpentane?
The InChIKey is ULTNUDRCYPCSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-5-7(9(2,3)4)6-12-8(10)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(difluoromethoxymethyl)-2,2-dimethylpentane?
3-(difluoromethoxymethyl)-2,2-dimethylpentane has a molecular weight of 180.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-2,2-dimethylpentane is sourced from PubChem (CID 58573327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).