3-ethoxy-4,4,4-trifluorobutan-1-ol

C6H11F3O2 — CID 19905060

IUPAC3-ethoxy-4,4,4-trifluorobutan-1-ol
SMILESCCOC(CCO)C(F)(F)F
InChIInChI=1S/C6H11F3O2/c1-2-11-5(3-4-10)6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyWPVCMDSHWQKDCL-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.34
Rot. Bonds4

About 3-ethoxy-4,4,4-trifluorobutan-1-ol

3-ethoxy-4,4,4-trifluorobutan-1-ol (PubChem CID 19905060) has the molecular formula C6H11F3O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is 3-ethoxy-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name3-ethoxy-4,4,4-trifluorobutan-1-ol
PubChem CID19905060
Molecular FormulaC6H11F3O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name3-ethoxy-4,4,4-trifluorobutan-1-ol
SMILESCCOC(CCO)C(F)(F)F
InChIInChI=1S/C6H11F3O2/c1-2-11-5(3-4-10)6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyWPVCMDSHWQKDCL-UHFFFAOYSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 3-ethoxy-4,4,4-trifluorobutan-1-ol (CID 19905060) is 3-ethoxy-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 3-ethoxy-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 3-ethoxy-4,4,4-trifluorobutan-1-ol is CCOC(CCO)C(F)(F)F.
What is the InChIKey of 3-ethoxy-4,4,4-trifluorobutan-1-ol?
The InChIKey is WPVCMDSHWQKDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2/c1-2-11-5(3-4-10)6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of 3-ethoxy-4,4,4-trifluorobutan-1-ol?
3-ethoxy-4,4,4-trifluorobutan-1-ol has a molecular weight of 172.15 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 19905060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).