1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol

C6H7F5O2 — CID 175149893

IUPAC1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol
SMILESC=CCOC(F)(F)C(O)(F)C(F)F
InChIInChI=1S/C6H7F5O2/c1-2-3-13-6(10,11)5(9,12)4(7)8/h2,4,12H,1,3H2
InChIKeyNLEHHXGRWAEEHP-UHFFFAOYSA-N
MW206.11 g/mol
LogP1.71
Rot. Bonds5

About 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol

1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol (PubChem CID 175149893) has the molecular formula C6H7F5O2 and a molecular weight of 206.11 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol
PubChem CID175149893
Molecular FormulaC6H7F5O2
Molecular Weight206.11 g/mol
Exact Mass206.04
IUPAC Name1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol
SMILESC=CCOC(F)(F)C(O)(F)C(F)F
InChIInChI=1S/C6H7F5O2/c1-2-3-13-6(10,11)5(9,12)4(7)8/h2,4,12H,1,3H2
InChIKeyNLEHHXGRWAEEHP-UHFFFAOYSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol?
The IUPAC name of 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol (CID 175149893) is 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol is C=CCOC(F)(F)C(O)(F)C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol?
The InChIKey is NLEHHXGRWAEEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O2/c1-2-3-13-6(10,11)5(9,12)4(7)8/h2,4,12H,1,3H2.
What are the key properties of 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol?
1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol has a molecular weight of 206.11 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-1-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 175149893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).