1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol

C7H11F3O2 — CID 103212074

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol
SMILESOC1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)5-12-4-3-6(11)1-2-6/h11H,1-5H2
InChIKeyPRPLJUJGRARZAL-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.48
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol

1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol (PubChem CID 103212074) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol
PubChem CID103212074
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol
SMILESOC1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)5-12-4-3-6(11)1-2-6/h11H,1-5H2
InChIKeyPRPLJUJGRARZAL-UHFFFAOYSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol
CID 106798292
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile
CID 65379314
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
CID 66023665
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctane-1-carbonitrile
CID 80602622
1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol
CID 115758625
3-(chloromethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane
CID 66034349
2-(2,2,2-trifluoroethoxy)ethanethiol
CID 61490314
4-(bromomethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]oxane
CID 66050172
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 62738365

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol (CID 103212074) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol is OC1(CCOCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol?
The InChIKey is PRPLJUJGRARZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c8-7(9,10)5-12-4-3-6(11)1-2-6/h11H,1-5H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol?
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol has a molecular weight of 184.16 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol is sourced from PubChem (CID 103212074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).