1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene

C13H19FO — CID 67023424

IUPAC1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
SMILESCC(C)(C)OCCCc1ccc(F)cc1
InChIInChI=1S/C13H19FO/c1-13(2,3)15-10-4-5-11-6-8-12(14)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyHQCRFVVWONFJMF-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.57
Rot. Bonds4

About 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene

1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene (PubChem CID 67023424) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
PubChem CID67023424
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
SMILESCC(C)(C)OCCCc1ccc(F)cc1
InChIInChI=1S/C13H19FO/c1-13(2,3)15-10-4-5-11-6-8-12(14)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyHQCRFVVWONFJMF-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol
CID 86258794
2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112588597
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
(E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine
CID 59409528
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
CID 65308639
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 20768954
2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587194
1-fluoro-4-propylbenzene
CID 2737505
1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110903446
1-[1-bromo-2-(bromomethyl)-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]-4-fluorobenzene
CID 112592556
N-butyl-5-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 91468144

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene?
The IUPAC name of 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene (CID 67023424) is 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene.
What is the SMILES notation for 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene?
The canonical SMILES for 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene is CC(C)(C)OCCCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene?
The InChIKey is HQCRFVVWONFJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-13(2,3)15-10-4-5-11-6-8-12(14)9-7-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene?
1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene has a molecular weight of 210.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene is sourced from PubChem (CID 67023424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).