1-[difluoro(methoxy)methyl]-3-fluorocyclopentane

C7H11F3O — CID 59956178

IUPAC1-[difluoro(methoxy)methyl]-3-fluorocyclopentane
SMILESCOC(F)(F)C1CCC(F)C1
InChIInChI=1S/C7H11F3O/c1-11-7(9,10)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3
InChIKeyHOZLLJRLKJHMNW-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.36
Rot. Bonds2

About 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane

1-[difluoro(methoxy)methyl]-3-fluorocyclopentane (PubChem CID 59956178) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-3-fluorocyclopentane
PubChem CID59956178
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name1-[difluoro(methoxy)methyl]-3-fluorocyclopentane
SMILESCOC(F)(F)C1CCC(F)C1
InChIInChI=1S/C7H11F3O/c1-11-7(9,10)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3
InChIKeyHOZLLJRLKJHMNW-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.36
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
1,1-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
3-(1,1-Difluoropropyl)oxolane
CID 156547542

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane (CID 59956178) is 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane is COC(F)(F)C1CCC(F)C1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane?
The InChIKey is HOZLLJRLKJHMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-11-7(9,10)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane?
1-[difluoro(methoxy)methyl]-3-fluorocyclopentane has a molecular weight of 168.16 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-3-fluorocyclopentane is sourced from PubChem (CID 59956178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).