5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol

C10H16F4O2 — CID 103474179

IUPAC5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol
SMILESC=C(C)CCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4O2/c1-7(2)3-4-8(15)5-16-6-10(13,14)9(11)12/h8-9,15H,1,3-6H2,2H3
InChIKeySKQPKTNCKGOORJ-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.62
Rot. Bonds8

About 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol

5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol (PubChem CID 103474179) has the molecular formula C10H16F4O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol.

Molecular Properties

Compound Name5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol
PubChem CID103474179
Molecular FormulaC10H16F4O2
Molecular Weight244.23 g/mol
Exact Mass244.11
IUPAC Name5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol
SMILESC=C(C)CCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4O2/c1-7(2)3-4-8(15)5-16-6-10(13,14)9(11)12/h8-9,15H,1,3-6H2,2H3
InChIKeySKQPKTNCKGOORJ-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.62
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 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol?
The IUPAC name of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol (CID 103474179) is 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol.
What is the SMILES notation for 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol?
The canonical SMILES for 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol is C=C(C)CCC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol?
The InChIKey is SKQPKTNCKGOORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O2/c1-7(2)3-4-8(15)5-16-6-10(13,14)9(11)12/h8-9,15H,1,3-6H2,2H3.
What are the key properties of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol?
5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol has a molecular weight of 244.23 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol is sourced from PubChem (CID 103474179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).