1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene

C12H17FO — CID 154939698

IUPAC1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
SMILESCc1cc(F)c(OCC(C)C)cc1C
InChIInChI=1S/C12H17FO/c1-8(2)7-14-12-6-10(4)9(3)5-11(12)13/h5-6,8H,7H2,1-4H3
InChIKeyPVKHBPKOZHLKKY-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.48
Rot. Bonds3

About 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene

1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene (PubChem CID 154939698) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
PubChem CID154939698
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
SMILESCc1cc(F)c(OCC(C)C)cc1C
InChIInChI=1S/C12H17FO/c1-8(2)7-14-12-6-10(4)9(3)5-11(12)13/h5-6,8H,7H2,1-4H3
InChIKeyPVKHBPKOZHLKKY-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-4-methyl-2-(2-methylpropoxy)aniline
CID 45091606
2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809365
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
CID 155923679
4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene
CID 154824759
5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene
CID 146426251
5-chloro-4-methyl-2-(2-methylpropoxy)aniline
CID 82265214
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
CID 174694459
CID 174694459
1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene
CID 142488537
2-fluoro-4-(isocyanatomethyl)-1-(2-methylpropoxy)benzene
CID 166666897

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene?
The IUPAC name of 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene (CID 154939698) is 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene.
What is the SMILES notation for 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene?
The canonical SMILES for 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene is Cc1cc(F)c(OCC(C)C)cc1C.
What is the InChIKey of 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene?
The InChIKey is PVKHBPKOZHLKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-8(2)7-14-12-6-10(4)9(3)5-11(12)13/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene?
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene has a molecular weight of 196.26 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene is sourced from PubChem (CID 154939698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).