(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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Related Compounds

1,1,1-Trifluoro-2,2-bis(methoxymethyl)-4-methylpentane
CID 19985300
3-(Difluoromethoxymethyl)-2,2-dimethylpentane
CID 58573327
(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane
CID 59127101
4-(Difluoromethyl)-4-propan-2-yloxane
CID 59327015
1-(Difluoromethoxy)-4-methyl-3-propan-2-ylpentane
CID 59610162
4-Methyl-3-propan-2-yl-1-(2,2,2-trifluoroethoxy)pentane
CID 59610498
3-(Difluoromethoxymethyl)-2,4-dimethylpentane
CID 59610758
2-(Difluoromethoxy)-4-methyl-3-propan-2-ylpentane
CID 59610850
3-Methyl-2-propan-2-yl-2-(trifluoromethyl)butan-1-ol
CID 87318391
1,1,1-Trifluoro-3,3-bis(methoxymethyl)-2,5-dimethylhexane
CID 87864752
2-(Difluoromethoxy)-3,4-dimethylpentane
CID 88545445
2,2,3,5,5-Pentamethyl-4-(trifluoromethoxy)hexane
CID 88936210

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).