1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene

C10H10F4O — CID 58298374

IUPAC1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
SMILESCC(C)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H10F4O/c1-5(2)4-15-10-8(13)6(11)3-7(12)9(10)14/h3,5H,4H2,1-2H3
InChIKeyQTZSTJGSJHRWSU-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.28
Rot. Bonds3

About 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene

1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene (PubChem CID 58298374) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
PubChem CID58298374
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
SMILESCC(C)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H10F4O/c1-5(2)4-15-10-8(13)6(11)3-7(12)9(10)14/h3,5H,4H2,1-2H3
InChIKeyQTZSTJGSJHRWSU-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)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

(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
CID 103289142
1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol
CID 103289730
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
3-[2-(bromomethyl)-3,3-dimethylbutoxy]-1,2,4,5-tetrafluorobenzene
CID 103289405
4-methyl-1-(2,3,5,6-tetrafluorophenoxy)pentan-2-one
CID 142460459
2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene
CID 155575031
5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene
CID 146426251
methyl 4-hydroxy-3-methyl-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
CID 145399399
N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine
CID 103289199
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine
CID 145378953
2,4-difluoro-1-methyl-3-(2-methylpropoxy)-5-nitrobenzene
CID 125115915

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene (CID 58298374) is 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene is CC(C)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene?
The InChIKey is QTZSTJGSJHRWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c1-5(2)4-15-10-8(13)6(11)3-7(12)9(10)14/h3,5H,4H2,1-2H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene?
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene has a molecular weight of 222.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene is sourced from PubChem (CID 58298374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).