1-fluoro-4-(2-propan-2-yloxyethyl)benzene

C11H15FO — CID 90759857

IUPAC1-fluoro-4-(2-propan-2-yloxyethyl)benzene
SMILESCC(C)OCCc1ccc(F)cc1
InChIInChI=1S/C11H15FO/c1-9(2)13-8-7-10-3-5-11(12)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyZWCJUHOVVQDPHM-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.79
Rot. Bonds4

About 1-fluoro-4-(2-propan-2-yloxyethyl)benzene

1-fluoro-4-(2-propan-2-yloxyethyl)benzene (PubChem CID 90759857) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-fluoro-4-(2-propan-2-yloxyethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-propan-2-yloxyethyl)benzene
PubChem CID90759857
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name1-fluoro-4-(2-propan-2-yloxyethyl)benzene
SMILESCC(C)OCCc1ccc(F)cc1
InChIInChI=1S/C11H15FO/c1-9(2)13-8-7-10-3-5-11(12)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyZWCJUHOVVQDPHM-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-propan-2-yloxyethyl)benzene?
The IUPAC name of 1-fluoro-4-(2-propan-2-yloxyethyl)benzene (CID 90759857) is 1-fluoro-4-(2-propan-2-yloxyethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-propan-2-yloxyethyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-propan-2-yloxyethyl)benzene is CC(C)OCCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-propan-2-yloxyethyl)benzene?
The InChIKey is ZWCJUHOVVQDPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-9(2)13-8-7-10-3-5-11(12)6-4-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-fluoro-4-(2-propan-2-yloxyethyl)benzene?
1-fluoro-4-(2-propan-2-yloxyethyl)benzene has a molecular weight of 182.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-propan-2-yloxyethyl)benzene is sourced from PubChem (CID 90759857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).