1,2-dichloro-4-(2-fluoropropan-2-yl)benzene

C9H9Cl2F — CID 84674781

IUPAC1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
SMILESCC(C)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2F/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKeyHPBVJJDCKYZCNJ-UHFFFAOYSA-N
MW207.07 g/mol
LogP4.20
Rot. Bonds1

About 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene

1,2-dichloro-4-(2-fluoropropan-2-yl)benzene (PubChem CID 84674781) has the molecular formula C9H9Cl2F and a molecular weight of 207.07 g/mol. Its IUPAC name is 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
PubChem CID84674781
Molecular FormulaC9H9Cl2F
Molecular Weight207.07 g/mol
Exact Mass206.01
IUPAC Name1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
SMILESCC(C)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2F/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKeyHPBVJJDCKYZCNJ-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
CID 166786212
2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
CID 84662941
3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670
3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588737
2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117363935
1,2-dichloro-4-(trichloromethyl)benzene
CID 25608
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene
CID 82045228
3-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]propanal
CID 117329588
4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol
CID 21293255
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene?
The IUPAC name of 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene (CID 84674781) is 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene is CC(C)(F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene?
The InChIKey is HPBVJJDCKYZCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3.
What are the key properties of 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene?
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene has a molecular weight of 207.07 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2-fluoropropan-2-yl)benzene is sourced from PubChem (CID 84674781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).