1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane

C9H16F2O — CID 123365421

IUPAC1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane
SMILESCC(C)OCC1CCC(F)(F)C1
InChIInChI=1S/C9H16F2O/c1-7(2)12-6-8-3-4-9(10,11)5-8/h7-8H,3-6H2,1-2H3
InChIKeyRJWUVZVZSWRGTP-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.85
Rot. Bonds3

About 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane

1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane (PubChem CID 123365421) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane.

Molecular Properties

Compound Name1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane
PubChem CID123365421
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane
SMILESCC(C)OCC1CCC(F)(F)C1
InChIInChI=1S/C9H16F2O/c1-7(2)12-6-8-3-4-9(10,11)5-8/h7-8H,3-6H2,1-2H3
InChIKeyRJWUVZVZSWRGTP-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

[Ethoxy(difluoro)methyl]cyclopentane
CID 18725580
4,5-Bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
CID 20738948
2,5-Diethyl-3-(trifluoromethyl)oxolane
CID 20771105
1-(2-Methylpropoxy)-4-(trifluoromethyl)cyclohexane
CID 57917037
(1,1-Difluoro-2-methylpropoxy)methylcyclopentane
CID 58422627
(5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane
CID 58685987
(2R,3S)-2-ethyl-4,4-difluoro-3-methyl-3,5-dihydro-2H-furan-5-ide;yttrium
CID 58988393
(2S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane
CID 58995246
3-[(1,1,1-Trifluoro-2-methylbutan-2-yl)oxymethyl]heptane
CID 59422989
(2S,4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane
CID 59467409
1-Propan-2-yloxy-4-(trifluoromethyl)cyclohexane
CID 66615275
2,3-Bis(1,1-difluoroethyl)oxolane
CID 68025133

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane?
The IUPAC name of 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane (CID 123365421) is 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane.
What is the SMILES notation for 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane?
The canonical SMILES for 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane is CC(C)OCC1CCC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane?
The InChIKey is RJWUVZVZSWRGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-7(2)12-6-8-3-4-9(10,11)5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane?
1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane has a molecular weight of 178.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(propan-2-yloxymethyl)cyclopentane is sourced from PubChem (CID 123365421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).