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DQNPGBWGIGDEEC-UHFFFAOYSA-N

C11H13F3O2 — CID 22737353

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-propyl-4-(2,2,2-trifluoroethoxy)phenol
SMILESCCCc1cc(OCC(F)(F)F)ccc1O
InChIInChI=1S/C11H13F3O2/c1-2-3-8-6-9(4-5-10(8)15)16-7-11(12,13)14/h4-6,15H,2-3,7H2,1H3
InChIKeyDQNPGBWGIGDEEC-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.29
Rot. Bonds4

About DQNPGBWGIGDEEC-UHFFFAOYSA-N

DQNPGBWGIGDEEC-UHFFFAOYSA-N (PubChem CID 22737353) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-propyl-4-(2,2,2-trifluoroethoxy)phenol.

Molecular Properties

Compound NameDQNPGBWGIGDEEC-UHFFFAOYSA-N
PubChem CID22737353
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-propyl-4-(2,2,2-trifluoroethoxy)phenol
SMILESCCCc1cc(OCC(F)(F)F)ccc1O
InChIInChI=1S/C11H13F3O2/c1-2-3-8-6-9(4-5-10(8)15)16-7-11(12,13)14/h4-6,15H,2-3,7H2,1H3
InChIKeyDQNPGBWGIGDEEC-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of DQNPGBWGIGDEEC-UHFFFAOYSA-N?
The IUPAC name of DQNPGBWGIGDEEC-UHFFFAOYSA-N (CID 22737353) is 2-propyl-4-(2,2,2-trifluoroethoxy)phenol.
What is the SMILES notation for DQNPGBWGIGDEEC-UHFFFAOYSA-N?
The canonical SMILES for DQNPGBWGIGDEEC-UHFFFAOYSA-N is CCCc1cc(OCC(F)(F)F)ccc1O.
What is the InChIKey of DQNPGBWGIGDEEC-UHFFFAOYSA-N?
The InChIKey is DQNPGBWGIGDEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-2-3-8-6-9(4-5-10(8)15)16-7-11(12,13)14/h4-6,15H,2-3,7H2,1H3.
What are the key properties of DQNPGBWGIGDEEC-UHFFFAOYSA-N?
DQNPGBWGIGDEEC-UHFFFAOYSA-N has a molecular weight of 234.22 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for DQNPGBWGIGDEEC-UHFFFAOYSA-N is sourced from PubChem (CID 22737353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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