3-(1-fluoropropoxy)-2-methylprop-1-ene

C7H13FO — CID 87224895

IUPAC3-(1-fluoropropoxy)-2-methylprop-1-ene
SMILESC=C(C)COC(F)CC
InChIInChI=1S/C7H13FO/c1-4-7(8)9-5-6(2)3/h7H,2,4-5H2,1,3H3
InChIKeyRKFAVSIEZJTIMG-UHFFFAOYSA-N
MW132.18 g/mol
LogP2.28
Rot. Bonds4

About 3-(1-fluoropropoxy)-2-methylprop-1-ene

3-(1-fluoropropoxy)-2-methylprop-1-ene (PubChem CID 87224895) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-(1-fluoropropoxy)-2-methylprop-1-ene.

Molecular Properties

Compound Name3-(1-fluoropropoxy)-2-methylprop-1-ene
PubChem CID87224895
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-(1-fluoropropoxy)-2-methylprop-1-ene
SMILESC=C(C)COC(F)CC
InChIInChI=1S/C7H13FO/c1-4-7(8)9-5-6(2)3/h7H,2,4-5H2,1,3H3
InChIKeyRKFAVSIEZJTIMG-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(1-fluoropropoxy)-2-methylprop-1-ene?
The IUPAC name of 3-(1-fluoropropoxy)-2-methylprop-1-ene (CID 87224895) is 3-(1-fluoropropoxy)-2-methylprop-1-ene.
What is the SMILES notation for 3-(1-fluoropropoxy)-2-methylprop-1-ene?
The canonical SMILES for 3-(1-fluoropropoxy)-2-methylprop-1-ene is C=C(C)COC(F)CC.
What is the InChIKey of 3-(1-fluoropropoxy)-2-methylprop-1-ene?
The InChIKey is RKFAVSIEZJTIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-4-7(8)9-5-6(2)3/h7H,2,4-5H2,1,3H3.
What are the key properties of 3-(1-fluoropropoxy)-2-methylprop-1-ene?
3-(1-fluoropropoxy)-2-methylprop-1-ene has a molecular weight of 132.18 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoropropoxy)-2-methylprop-1-ene is sourced from PubChem (CID 87224895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).