1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane

C8H11F5O — CID 71219159

IUPAC1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane
SMILESCOC(F)(F)C1CCC(C(F)(F)F)C1
InChIInChI=1S/C8H11F5O/c1-14-8(12,13)6-3-2-5(4-6)7(9,10)11/h5-6H,2-4H2,1H3
InChIKeyWBUIVWZKUGUJIH-UHFFFAOYSA-N
MW218.16 g/mol
LogP3.20
Rot. Bonds2

About 1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane

1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane (PubChem CID 71219159) has the molecular formula C8H11F5O and a molecular weight of 218.16 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane
PubChem CID71219159
Molecular FormulaC8H11F5O
Molecular Weight218.16 g/mol
Exact Mass218.07
IUPAC Name1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane
SMILESCOC(F)(F)C1CCC(C(F)(F)F)C1
InChIInChI=1S/C8H11F5O/c1-14-8(12,13)6-3-2-5(4-6)7(9,10)11/h5-6H,2-4H2,1H3
InChIKeyWBUIVWZKUGUJIH-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 53.20
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
3-(1,1-Difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane
CID 58425859
1,1,1,3-Tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane
CID 59847511
1-[Difluoro(methoxy)methyl]-3-fluorocyclopentane
CID 59956178
1,1-Difluoroethoxymethylcyclopentane
CID 90392460
2-[Difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane
CID 118636586
1,1-Difluoro-3-(methoxymethyl)cyclopentane
CID 121390808
[Difluoro(methoxy)methyl]cyclopentane;hydrofluoride
CID 157062709
1-[Difluoro(methoxy)methyl]-3-methylcyclopentane;hydrofluoride
CID 157532465
(3R)-1-(difluoromethoxymethyl)-3-methylcyclopentane
CID 169182218

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane (CID 71219159) is 1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane is COC(F)(F)C1CCC(C(F)(F)F)C1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane?
The InChIKey is WBUIVWZKUGUJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O/c1-14-8(12,13)6-3-2-5(4-6)7(9,10)11/h5-6H,2-4H2,1H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane?
1-[difluoro(methoxy)methyl]-3-(trifluoromethyl)cyclopentane has a molecular weight of 218.16 g/mol, XLogP of 3.20, 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-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 71219159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).