1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene

C10H10F4O — CID 169135949

IUPAC1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1OC(CF)CF
InChIInChI=1S/C10H10F4O/c1-6-9(14)2-7(13)3-10(6)15-8(4-11)5-12/h2-3,8H,4-5H2,1H3
InChIKeyHTBUKIMKPABBJQ-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.96
Rot. Bonds4

About 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene

1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene (PubChem CID 169135949) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene
PubChem CID169135949
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1OC(CF)CF
InChIInChI=1S/C10H10F4O/c1-6-9(14)2-7(13)3-10(6)15-8(4-11)5-12/h2-3,8H,4-5H2,1H3
InChIKeyHTBUKIMKPABBJQ-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethoxy-3,5-difluoro-2-methylbenzene
CID 169134909
2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane
CID 169135247
2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
CID 58413286
1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene
CID 66729776
1-(2,3,5-trifluorophenoxy)ethanol
CID 143423169
3,5-difluoro-2-methylphenol
CID 20580699
methyl 3,5-difluoro-2-methylbenzoate
CID 74890536
sodium tetrakis(3,5-difluoro-2-methylphenyl)boranuide
CID 139958515
[2-(difluoromethoxy)-4,6-difluorophenyl]methanol
CID 130934755
3-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288664
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene?
The IUPAC name of 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene (CID 169135949) is 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene.
What is the SMILES notation for 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene?
The canonical SMILES for 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene is Cc1c(F)cc(F)cc1OC(CF)CF.
What is the InChIKey of 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene?
The InChIKey is HTBUKIMKPABBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c1-6-9(14)2-7(13)3-10(6)15-8(4-11)5-12/h2-3,8H,4-5H2,1H3.
What are the key properties of 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene?
1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene has a molecular weight of 222.18 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene is sourced from PubChem (CID 169135949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).