[difluoro(methoxy)methyl]cyclopentane;hydrofluoride

C7H13F3O — CID 157062709

IUPAC[difluoro(methoxy)methyl]cyclopentane;hydrofluoride
SMILESCOC(F)(F)C1CCCC1.F
InChIInChI=1S/C7H12F2O.FH/c1-10-7(8,9)6-4-2-3-5-6;/h6H,2-5H2,1H3;1H
InChIKeyABMYGTYYRHURJF-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.57
Rot. Bonds2

About [difluoro(methoxy)methyl]cyclopentane;hydrofluoride

[difluoro(methoxy)methyl]cyclopentane;hydrofluoride (PubChem CID 157062709) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is [difluoro(methoxy)methyl]cyclopentane;hydrofluoride.

Molecular Properties

Compound Name[difluoro(methoxy)methyl]cyclopentane;hydrofluoride
PubChem CID157062709
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name[difluoro(methoxy)methyl]cyclopentane;hydrofluoride
SMILESCOC(F)(F)C1CCCC1.F
InChIInChI=1S/C7H12F2O.FH/c1-10-7(8,9)6-4-2-3-5-6;/h6H,2-5H2,1H3;1H
InChIKeyABMYGTYYRHURJF-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[Ethoxy(difluoro)methyl]cyclopentane
CID 18725580
1-[Difluoro(methoxy)methyl]-3-methylcyclopentane
CID 18731747
[Difluoro(methoxy)methyl]cyclopentane
CID 20698411
(1,1-Difluoro-2-methylpropoxy)methylcyclopentane
CID 58422627
1-[Difluoro(methoxy)methyl]-3-fluorocyclopentane
CID 59956178
1,1-Difluoropropoxymethylcyclopentane
CID 68233420
1-[Difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane
CID 71219159
1,1-Difluoroethoxymethylcyclopentane
CID 90392460
1,1-Difluoro-3-(methoxymethyl)cyclopentane
CID 121390808
1,1-Difluoro-3-(sulfanyloxymethyl)cyclopentane
CID 123610559
Ethane;3-(ethoxymethyl)-1,1-difluorocyclopentane
CID 144773823
1-Methyl-2-(trifluoromethoxy)cyclopentane
CID 149039032

Frequently Asked Questions

What is the IUPAC name of [difluoro(methoxy)methyl]cyclopentane;hydrofluoride?
The IUPAC name of [difluoro(methoxy)methyl]cyclopentane;hydrofluoride (CID 157062709) is [difluoro(methoxy)methyl]cyclopentane;hydrofluoride.
What is the SMILES notation for [difluoro(methoxy)methyl]cyclopentane;hydrofluoride?
The canonical SMILES for [difluoro(methoxy)methyl]cyclopentane;hydrofluoride is COC(F)(F)C1CCCC1.F.
What is the InChIKey of [difluoro(methoxy)methyl]cyclopentane;hydrofluoride?
The InChIKey is ABMYGTYYRHURJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O.FH/c1-10-7(8,9)6-4-2-3-5-6;/h6H,2-5H2,1H3;1H.
What are the key properties of [difluoro(methoxy)methyl]cyclopentane;hydrofluoride?
[difluoro(methoxy)methyl]cyclopentane;hydrofluoride has a molecular weight of 170.17 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(methoxy)methyl]cyclopentane;hydrofluoride is sourced from PubChem (CID 157062709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).