2,2-difluoro-6-methyl-1-propan-2-yloxyheptane

C11H22F2O — CID 58275563

IUPAC2,2-difluoro-6-methyl-1-propan-2-yloxyheptane
SMILESCC(C)CCCC(F)(F)COC(C)C
InChIInChI=1S/C11H22F2O/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyTXIXZDQFHLCFOD-UHFFFAOYSA-N
MW208.29 g/mol
LogP3.87
Rot. Bonds7

About 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane

2,2-difluoro-6-methyl-1-propan-2-yloxyheptane (PubChem CID 58275563) has the molecular formula C11H22F2O and a molecular weight of 208.29 g/mol. Its IUPAC name is 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane.

Molecular Properties

Compound Name2,2-difluoro-6-methyl-1-propan-2-yloxyheptane
PubChem CID58275563
Molecular FormulaC11H22F2O
Molecular Weight208.29 g/mol
Exact Mass208.16
IUPAC Name2,2-difluoro-6-methyl-1-propan-2-yloxyheptane
SMILESCC(C)CCCC(F)(F)COC(C)C
InChIInChI=1S/C11H22F2O/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyTXIXZDQFHLCFOD-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,6-difluoro-2,10-dimethylundecane
CID 169289858
2,2-difluoro-N,6-dimethylheptan-1-amine
CID 88588168
2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
CID 162617253
1,1,1,2,2-pentafluoro-6-methylheptane
CID 20579538
N-(2,6-dimethylheptan-2-yl)hydroxylamine
CID 138599633
2,9-dimethyl-5-(propan-2-yloxymethyl)-5-(3-propan-2-yloxypropoxymethyl)decan-3-one
CID 161315814
6-methyl-1-propan-2-yloxyheptan-2-ol
CID 105122821
6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
CID 144649241
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
6-fluoro-2,6-dimethylundecane
CID 155274662
2-methyl-1-propan-2-yloxypropan-2-ol
CID 547751
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane?
The IUPAC name of 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane (CID 58275563) is 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane.
What is the SMILES notation for 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane?
The canonical SMILES for 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane is CC(C)CCCC(F)(F)COC(C)C.
What is the InChIKey of 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane?
The InChIKey is TXIXZDQFHLCFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane?
2,2-difluoro-6-methyl-1-propan-2-yloxyheptane has a molecular weight of 208.29 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-methyl-1-propan-2-yloxyheptane is sourced from PubChem (CID 58275563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).