1-methyl-3-(trifluoromethoxy)cyclopentane

C7H11F3O — CID 162564153

IUPAC1-methyl-3-(trifluoromethoxy)cyclopentane
SMILESCC1CCC(OC(F)(F)F)C1
InChIInChI=1S/C7H11F3O/c1-5-2-3-6(4-5)11-7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyGXTANOPITSQPRA-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.71
Rot. Bonds1

About 1-methyl-3-(trifluoromethoxy)cyclopentane

1-methyl-3-(trifluoromethoxy)cyclopentane (PubChem CID 162564153) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethoxy)cyclopentane.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethoxy)cyclopentane
PubChem CID162564153
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name1-methyl-3-(trifluoromethoxy)cyclopentane
SMILESCC1CCC(OC(F)(F)F)C1
InChIInChI=1S/C7H11F3O/c1-5-2-3-6(4-5)11-7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyGXTANOPITSQPRA-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-1-methoxy-3-methylcyclopentane
CID 12176015
cis-(1R,3S)-1-methoxy-3-methylcyclopentane
CID 12176016
[Difluoro(methoxy)methyl]cyclopentane
CID 20698411
1-[Difluoro(methoxy)methyl]-3-fluorocyclopentane
CID 59956178
3,5-Dimethyl-2-(trifluoromethyl)oxolane
CID 89687944
1-Ethyl-3-(trifluoromethoxy)cyclopentane
CID 89692297
6,6-Difluoro-3-methoxybicyclo[3.1.0]hexane
CID 118393733
1,1-Difluoro-3-(methoxymethyl)cyclopentane
CID 121390808
1,1-Difluoro-3-(propan-2-yloxymethyl)cyclopentane
CID 123365421
1-(2,2-Difluoroethoxy)-3-ethylcyclopentane
CID 123719280
3,3-Difluoro-4-methylcyclopentan-1-ol
CID 126599323
(4S)-1,1,1-trifluoro-5-methoxy-4-methylhexane
CID 126757437

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethoxy)cyclopentane?
The IUPAC name of 1-methyl-3-(trifluoromethoxy)cyclopentane (CID 162564153) is 1-methyl-3-(trifluoromethoxy)cyclopentane.
What is the SMILES notation for 1-methyl-3-(trifluoromethoxy)cyclopentane?
The canonical SMILES for 1-methyl-3-(trifluoromethoxy)cyclopentane is CC1CCC(OC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethoxy)cyclopentane?
The InChIKey is GXTANOPITSQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-5-2-3-6(4-5)11-7(8,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethoxy)cyclopentane?
1-methyl-3-(trifluoromethoxy)cyclopentane has a molecular weight of 168.16 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethoxy)cyclopentane is sourced from PubChem (CID 162564153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).