1,4-difluoro-2-(propan-2-yloxymethyl)benzene

C10H12F2O — CID 58479340

IUPAC1,4-difluoro-2-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1cc(F)ccc1F
InChIInChI=1S/C10H12F2O/c1-7(2)13-6-8-5-9(11)3-4-10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyPZPQWIFTZBBAEM-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.89
Rot. Bonds3

About 1,4-difluoro-2-(propan-2-yloxymethyl)benzene

1,4-difluoro-2-(propan-2-yloxymethyl)benzene (PubChem CID 58479340) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1,4-difluoro-2-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1,4-difluoro-2-(propan-2-yloxymethyl)benzene
PubChem CID58479340
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1,4-difluoro-2-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1cc(F)ccc1F
InChIInChI=1S/C10H12F2O/c1-7(2)13-6-8-5-9(11)3-4-10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyPZPQWIFTZBBAEM-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-(propan-2-yloxymethyl)benzonitrile
CID 107903297
2-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]acetaldehyde
CID 83885042
1-[[4-fluoro-2-(propan-2-yloxymethyl)phenyl]methyl]-2-phenylhydrazine
CID 169385064
(1S)-1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethanol
CID 78930848
propan-2-yl 3-(2,5-difluorophenyl)-2-oxopropanoate
CID 18370385
2-ethyl-1,4-difluorobenzene
CID 23202513
1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 63794811
1-[(2,5-difluorophenyl)methoxy]-2-methylpropan-2-amine
CID 64537606
N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115726285
2-[(2-ethoxyphenoxy)methyl]-1,4-difluorobenzene
CID 112842348
2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
CID 62335881
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1,4-difluoro-2-(propan-2-yloxymethyl)benzene (CID 58479340) is 1,4-difluoro-2-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1,4-difluoro-2-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1,4-difluoro-2-(propan-2-yloxymethyl)benzene is CC(C)OCc1cc(F)ccc1F.
What is the InChIKey of 1,4-difluoro-2-(propan-2-yloxymethyl)benzene?
The InChIKey is PZPQWIFTZBBAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-7(2)13-6-8-5-9(11)3-4-10(8)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1,4-difluoro-2-(propan-2-yloxymethyl)benzene?
1,4-difluoro-2-(propan-2-yloxymethyl)benzene has a molecular weight of 186.20 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 58479340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).