1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene

C9H9Cl2FO — CID 125116033

IUPAC1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
SMILESCC(C)Oc1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2FO/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5H,1-2H3
InChIKeyGLUPDIGKQLNZKC-UHFFFAOYSA-N
MW223.07 g/mol
LogP3.92
Rot. Bonds2

About 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene

1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene (PubChem CID 125116033) has the molecular formula C9H9Cl2FO and a molecular weight of 223.07 g/mol. Its IUPAC name is 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
PubChem CID125116033
Molecular FormulaC9H9Cl2FO
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC Name1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
SMILESCC(C)Oc1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2FO/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5H,1-2H3
InChIKeyGLUPDIGKQLNZKC-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
3,5-dichloro-N-methyl-2-propan-2-yloxyaniline
CID 82267076
2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline
CID 86152824
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
CID 118847258
propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate
CID 82552200
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride
CID 115704040
1-(bromomethyl)-5-chloro-3-fluoro-2-methoxybenzene
CID 131593007
methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene
CID 157172540
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene?
The IUPAC name of 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene (CID 125116033) is 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene.
What is the SMILES notation for 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene?
The canonical SMILES for 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene is CC(C)Oc1c(F)cc(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene?
The InChIKey is GLUPDIGKQLNZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FO/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5H,1-2H3.
What are the key properties of 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene?
1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene has a molecular weight of 223.07 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene is sourced from PubChem (CID 125116033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).