1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C7H12F4O3 — CID 103474074

IUPAC1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCOCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4O3/c1-13-2-5(12)3-14-4-7(10,11)6(8)9/h5-6,12H,2-4H2,1H3
InChIKeyPKRYQVIACIBNQS-UHFFFAOYSA-N
MW220.16 g/mol
LogP0.91
Rot. Bonds7

About 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 103474074) has the molecular formula C7H12F4O3 and a molecular weight of 220.16 g/mol. Its IUPAC name is 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID103474074
Molecular FormulaC7H12F4O3
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCOCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4O3/c1-13-2-5(12)3-14-4-7(10,11)6(8)9/h5-6,12H,2-4H2,1H3
InChIKeyPKRYQVIACIBNQS-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 103474074) is 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is COCC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is PKRYQVIACIBNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O3/c1-13-2-5(12)3-14-4-7(10,11)6(8)9/h5-6,12H,2-4H2,1H3.
What are the key properties of 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 220.16 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 103474074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).