(2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane

C9H16F2O — CID 121400526

IUPAC(2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane
SMILESCC(C)[C@@]1(C)CCC(F)(F)CO1
InChIInChI=1S/C9H16F2O/c1-7(2)8(3)4-5-9(10,11)6-12-8/h7H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyBXLGEBHGDAZOLD-MRVPVSSYSA-N
MW178.22 g/mol
LogP2.85
Rot. Bonds1

About (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane

(2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane (PubChem CID 121400526) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane.

Molecular Properties

Compound Name(2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane
PubChem CID121400526
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name(2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane
SMILESCC(C)[C@@]1(C)CCC(F)(F)CO1
InChIInChI=1S/C9H16F2O/c1-7(2)8(3)4-5-9(10,11)6-12-8/h7H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyBXLGEBHGDAZOLD-MRVPVSSYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-Bis(4,4-difluorobutyl)oxane
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(4S)-2,4-dimethyl-2-(trifluoromethyl)oxane
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(4S)-3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxane
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CID 57682218
(4S)-3,3-difluoro-2,4-dimethyl-2,6-bis(trifluoromethyl)oxane
CID 57682247
2-Pentyl-5-[4-(trifluoromethyl)cyclohexyl]oxane
CID 57702264
(3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane
CID 58241376
[1,1,1,3,3,3-Hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane
CID 58969682
3-[(1,1,1-Trifluoro-2-methylbutan-2-yl)oxymethyl]heptane
CID 59422989
2-Ethyl-6-fluoro-3,4,5-trimethyloxane
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Frequently Asked Questions

What is the IUPAC name of (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane?
The IUPAC name of (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane (CID 121400526) is (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane.
What is the SMILES notation for (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane?
The canonical SMILES for (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane is CC(C)[C@@]1(C)CCC(F)(F)CO1.
What is the InChIKey of (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane?
The InChIKey is BXLGEBHGDAZOLD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-7(2)8(3)4-5-9(10,11)6-12-8/h7H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane?
(2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane has a molecular weight of 178.22 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5-difluoro-2-methyl-2-propan-2-yloxane is sourced from PubChem (CID 121400526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).