[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol

C12H19F3O3 — CID 113420920

IUPAC[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol
SMILESOCC1(CCOCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C12H19F3O3/c13-12(14,15)8-17-5-3-11(7-16)4-6-18-10(11)9-1-2-9/h9-10,16H,1-8H2
InChIKeyAZSVWTLFXZWKHG-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.13
Rot. Bonds6

About [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol

[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol (PubChem CID 113420920) has the molecular formula C12H19F3O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol
PubChem CID113420920
Molecular FormulaC12H19F3O3
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol
SMILESOCC1(CCOCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C12H19F3O3/c13-12(14,15)8-17-5-3-11(7-16)4-6-18-10(11)9-1-2-9/h9-10,16H,1-8H2
InChIKeyAZSVWTLFXZWKHG-UHFFFAOYSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol?
The IUPAC name of [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol (CID 113420920) is [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol.
What is the SMILES notation for [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol?
The canonical SMILES for [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol is OCC1(CCOCC(F)(F)F)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol?
The InChIKey is AZSVWTLFXZWKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O3/c13-12(14,15)8-17-5-3-11(7-16)4-6-18-10(11)9-1-2-9/h9-10,16H,1-8H2.
What are the key properties of [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol?
[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol has a molecular weight of 268.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanol is sourced from PubChem (CID 113420920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).