1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol

C7H13FO2 — CID 87225037

IUPAC1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol
SMILESC=C(C)COCC(O)CF
InChIInChI=1S/C7H13FO2/c1-6(2)4-10-5-7(9)3-8/h7,9H,1,3-5H2,2H3
InChIKeyAATBZHVRLSVXIH-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.91
Rot. Bonds5

About 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol

1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol (PubChem CID 87225037) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol
PubChem CID87225037
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol
SMILESC=C(C)COCC(O)CF
InChIInChI=1S/C7H13FO2/c1-6(2)4-10-5-7(9)3-8/h7,9H,1,3-5H2,2H3
InChIKeyAATBZHVRLSVXIH-UHFFFAOYSA-N
XLogP0.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylallyloxy)ethanol
CID 13459383
1,2-Propanediol, 3-(2-methylallyloxy)-
CID 115784
1-Fluoro-3-prop-2-enoxypropan-2-ol
CID 15053840
2-(2-Methylbuta-2,3-dienoxy)ethanol
CID 13574393
1-((2-Methylallyl)oxy)propan-2-ol
CID 19068472
1,3-Bis(2-methylprop-2-enoxy)propan-2-ol
CID 23225622
1-(2-Methylprop-2-enoxy)propane-2,2-diol
CID 53810275
3-(2-Hydroxypropoxy)-2-methylprop-1-en-1-ol
CID 58782702
2-(2-Methylprop-2-enoxy)propan-1-ol
CID 86086502
1-[2-Hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol
CID 87094768
1-(2-Hydroxyprop-2-enoxy)propan-2-ol
CID 87133514
1-Ethoxy-3-(2-methylprop-2-enoxy)propan-2-ol
CID 88079991

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol?
The IUPAC name of 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol (CID 87225037) is 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol is C=C(C)COCC(O)CF.
What is the InChIKey of 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol?
The InChIKey is AATBZHVRLSVXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-6(2)4-10-5-7(9)3-8/h7,9H,1,3-5H2,2H3.
What are the key properties of 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol?
1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol has a molecular weight of 148.18 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol is sourced from PubChem (CID 87225037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).