1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol

C10H13F5O2 — CID 150807755

IUPAC1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol
SMILESCC=CC(O)CC1OCC1C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F5O2/c1-2-3-6(16)4-8-7(5-17-8)9(11,12)10(13,14)15/h2-3,6-8,16H,4-5H2,1H3
InChIKeyKHFPWKGUCANEQR-UHFFFAOYSA-N
MW260.20 g/mol
LogP2.53
Rot. Bonds4

About 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol

1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol (PubChem CID 150807755) has the molecular formula C10H13F5O2 and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol.

Molecular Properties

Compound Name1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol
PubChem CID150807755
Molecular FormulaC10H13F5O2
Molecular Weight260.20 g/mol
Exact Mass260.08
IUPAC Name1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol
SMILESCC=CC(O)CC1OCC1C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F5O2/c1-2-3-6(16)4-8-7(5-17-8)9(11,12)10(13,14)15/h2-3,6-8,16H,4-5H2,1H3
InChIKeyKHFPWKGUCANEQR-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol?
The IUPAC name of 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol (CID 150807755) is 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol.
What is the SMILES notation for 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol?
The canonical SMILES for 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol is CC=CC(O)CC1OCC1C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol?
The InChIKey is KHFPWKGUCANEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O2/c1-2-3-6(16)4-8-7(5-17-8)9(11,12)10(13,14)15/h2-3,6-8,16H,4-5H2,1H3.
What are the key properties of 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol?
1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol has a molecular weight of 260.20 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol is sourced from PubChem (CID 150807755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).