(3,4-difluoro-2-methylphenyl)methyl acetate

C10H10F2O2 — CID 130139606

IUPAC(3,4-difluoro-2-methylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(F)c(F)c1C
InChIInChI=1S/C10H10F2O2/c1-6-8(5-14-7(2)13)3-4-9(11)10(6)12/h3-4H,5H2,1-2H3
InChIKeyDVDHTHGQHNPVBH-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.34
Rot. Bonds2

About (3,4-difluoro-2-methylphenyl)methyl acetate

(3,4-difluoro-2-methylphenyl)methyl acetate (PubChem CID 130139606) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is (3,4-difluoro-2-methylphenyl)methyl acetate.

Molecular Properties

Compound Name(3,4-difluoro-2-methylphenyl)methyl acetate
PubChem CID130139606
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name(3,4-difluoro-2-methylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(F)c(F)c1C
InChIInChI=1S/C10H10F2O2/c1-6-8(5-14-7(2)13)3-4-9(11)10(6)12/h3-4H,5H2,1-2H3
InChIKeyDVDHTHGQHNPVBH-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
(3-acetamido-2,4-dimethylphenyl)methyl acetate
CID 141195730
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193
(5-bromo-2-fluoro-3-methylphenyl)methyl acetate
CID 130140647
ethane;(2-methylphenyl)methyl acetate
CID 143177732
[5-(acetyloxymethyl)-3-bromo-2,4-dimethylphenyl]methyl acetate
CID 86673308
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
1-(2-chloroethyl)-3,4-difluoro-2-methylbenzene
CID 130139628
(4-fluorophenyl)methyl acetate
CID 14793785
(2-bromo-6-methyl-3-pyridinyl)methyl acetate
CID 130132753
[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
CID 3609489

Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2-methylphenyl)methyl acetate?
The IUPAC name of (3,4-difluoro-2-methylphenyl)methyl acetate (CID 130139606) is (3,4-difluoro-2-methylphenyl)methyl acetate.
What is the SMILES notation for (3,4-difluoro-2-methylphenyl)methyl acetate?
The canonical SMILES for (3,4-difluoro-2-methylphenyl)methyl acetate is CC(=O)OCc1ccc(F)c(F)c1C.
What is the InChIKey of (3,4-difluoro-2-methylphenyl)methyl acetate?
The InChIKey is DVDHTHGQHNPVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6-8(5-14-7(2)13)3-4-9(11)10(6)12/h3-4H,5H2,1-2H3.
What are the key properties of (3,4-difluoro-2-methylphenyl)methyl acetate?
(3,4-difluoro-2-methylphenyl)methyl acetate has a molecular weight of 200.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2-methylphenyl)methyl acetate is sourced from PubChem (CID 130139606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).