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

C9H18F2O — CID 58573116

IUPAC(3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane
SMILESCC[C@@H](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/t7-/m0/s1
InChIKeyULTNUDRCYPCSRA-ZETCQYMHSA-N
MW180.24 g/mol
LogP3.30
Rot. Bonds4

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

(3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane (PubChem CID 58573116) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is (3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane.

Molecular Properties

Compound Name(3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane
PubChem CID58573116
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name(3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane
SMILESCC[C@@H](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/t7-/m0/s1
InChIKeyULTNUDRCYPCSRA-ZETCQYMHSA-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 (3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane?
The IUPAC name of (3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane (CID 58573116) is (3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane.
What is the SMILES notation for (3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane?
The canonical SMILES for (3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane is CC[C@@H](COC(F)F)C(C)(C)C.
What is the InChIKey of (3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane?
The InChIKey is ULTNUDRCYPCSRA-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane?
(3R)-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 (3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane is sourced from PubChem (CID 58573116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).