1,2-difluoro-4-methyl-5-propan-2-yloxybenzene

C10H12F2O — CID 130512828

IUPAC1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
SMILESCc1cc(F)c(F)cc1OC(C)C
InChIInChI=1S/C10H12F2O/c1-6(2)13-10-5-9(12)8(11)4-7(10)3/h4-6H,1-3H3
InChIKeyWZADRHMGRGNZGY-UHFFFAOYSA-N
MW186.20 g/mol
LogP3.06
Rot. Bonds2

About 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene

1,2-difluoro-4-methyl-5-propan-2-yloxybenzene (PubChem CID 130512828) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
PubChem CID130512828
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
SMILESCc1cc(F)c(F)cc1OC(C)C
InChIInChI=1S/C10H12F2O/c1-6(2)13-10-5-9(12)8(11)4-7(10)3/h4-6H,1-3H3
InChIKeyWZADRHMGRGNZGY-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-5-methyl-2-propan-2-yloxyphenol
CID 125116043
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine
CID 83893589
2,4-dimethyl-5-propan-2-yloxyaniline;methanol
CID 167518125
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
5-fluoro-4-methyl-2-propan-2-yloxybenzenecarbothioamide
CID 22955942
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
5-fluoro-4-methyl-2-propan-2-yloxybenzamide
CID 59113922
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene?
The IUPAC name of 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene (CID 130512828) is 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene.
What is the SMILES notation for 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene?
The canonical SMILES for 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene is Cc1cc(F)c(F)cc1OC(C)C.
What is the InChIKey of 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene?
The InChIKey is WZADRHMGRGNZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-6(2)13-10-5-9(12)8(11)4-7(10)3/h4-6H,1-3H3.
What are the key properties of 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene?
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene has a molecular weight of 186.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methyl-5-propan-2-yloxybenzene is sourced from PubChem (CID 130512828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).