1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol

C9H15F3O2 — CID 106798292

IUPAC1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol
SMILESCC(O)C1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3O2/c1-7(13)8(2-3-8)4-5-14-6-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyXHZQBJHGQNNANE-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.12
Rot. Bonds5

About 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol (PubChem CID 106798292) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol
PubChem CID106798292
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol
SMILESCC(O)C1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3O2/c1-7(13)8(2-3-8)4-5-14-6-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyXHZQBJHGQNNANE-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.12
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-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane
CID 106798516
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-ol
CID 103212074
N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine
CID 106797855
N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114113640
4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol
CID 106798109
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
3-acetyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-2-one
CID 103343625
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile
CID 65379314
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
CID 66023665

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol (CID 106798292) is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol is CC(O)C1(CCOCC(F)(F)F)CC1.
What is the InChIKey of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol?
The InChIKey is XHZQBJHGQNNANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-7(13)8(2-3-8)4-5-14-6-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol?
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol has a molecular weight of 212.21 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol is sourced from PubChem (CID 106798292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).