(3R)-3-(difluoromethoxymethyl)-2-methylpentane

C8H16F2O — CID 129153514

IUPAC(3R)-3-(difluoromethoxymethyl)-2-methylpentane
SMILESCC[C@@H](COC(F)F)C(C)C
InChIInChI=1S/C8H16F2O/c1-4-7(6(2)3)5-11-8(9)10/h6-8H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyCWEROAXLTIWYAQ-ZETCQYMHSA-N
MW166.21 g/mol
LogP2.91
Rot. Bonds5

About (3R)-3-(difluoromethoxymethyl)-2-methylpentane

(3R)-3-(difluoromethoxymethyl)-2-methylpentane (PubChem CID 129153514) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is (3R)-3-(difluoromethoxymethyl)-2-methylpentane.

Molecular Properties

Compound Name(3R)-3-(difluoromethoxymethyl)-2-methylpentane
PubChem CID129153514
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name(3R)-3-(difluoromethoxymethyl)-2-methylpentane
SMILESCC[C@@H](COC(F)F)C(C)C
InChIInChI=1S/C8H16F2O/c1-4-7(6(2)3)5-11-8(9)10/h6-8H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyCWEROAXLTIWYAQ-ZETCQYMHSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.91
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-methylpentane?
The IUPAC name of (3R)-3-(difluoromethoxymethyl)-2-methylpentane (CID 129153514) is (3R)-3-(difluoromethoxymethyl)-2-methylpentane.
What is the SMILES notation for (3R)-3-(difluoromethoxymethyl)-2-methylpentane?
The canonical SMILES for (3R)-3-(difluoromethoxymethyl)-2-methylpentane is CC[C@@H](COC(F)F)C(C)C.
What is the InChIKey of (3R)-3-(difluoromethoxymethyl)-2-methylpentane?
The InChIKey is CWEROAXLTIWYAQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16F2O/c1-4-7(6(2)3)5-11-8(9)10/h6-8H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (3R)-3-(difluoromethoxymethyl)-2-methylpentane?
(3R)-3-(difluoromethoxymethyl)-2-methylpentane has a molecular weight of 166.21 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethoxymethyl)-2-methylpentane is sourced from PubChem (CID 129153514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).