1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

C10H13F3O3 — CID 103147367

IUPAC1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
SMILESOC(CCOCC(F)(F)F)Cc1ccoc1
InChIInChI=1S/C10H13F3O3/c11-10(12,13)7-16-4-2-9(14)5-8-1-3-15-6-8/h1,3,6,9,14H,2,4-5,7H2
InChIKeyLMWNCDFWCVYUDX-UHFFFAOYSA-N
MW238.20 g/mol
LogP2.15
Rot. Bonds6

About 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol (PubChem CID 103147367) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
PubChem CID103147367
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Name1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
SMILESOC(CCOCC(F)(F)F)Cc1ccoc1
InChIInChI=1S/C10H13F3O3/c11-10(12,13)7-16-4-2-9(14)5-8-1-3-15-6-8/h1,3,6,9,14H,2,4-5,7H2
InChIKeyLMWNCDFWCVYUDX-UHFFFAOYSA-N
XLogP2.15
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 52.15
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 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol?
The IUPAC name of 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol (CID 103147367) is 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol.
What is the SMILES notation for 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol?
The canonical SMILES for 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol is OC(CCOCC(F)(F)F)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol?
The InChIKey is LMWNCDFWCVYUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O3/c11-10(12,13)7-16-4-2-9(14)5-8-1-3-15-6-8/h1,3,6,9,14H,2,4-5,7H2.
What are the key properties of 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol?
1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol has a molecular weight of 238.20 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol is sourced from PubChem (CID 103147367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).