1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene

C10H12ClF — CID 166786212

IUPAC1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
SMILESCc1cc(C(C)(C)F)ccc1Cl
InChIInChI=1S/C10H12ClF/c1-7-6-8(10(2,3)12)4-5-9(7)11/h4-6H,1-3H3
InChIKeyWSSAHZGYILZTRH-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.85
Rot. Bonds1

About 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene

1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene (PubChem CID 166786212) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
PubChem CID166786212
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
SMILESCc1cc(C(C)(C)F)ccc1Cl
InChIInChI=1S/C10H12ClF/c1-7-6-8(10(2,3)12)4-5-9(7)11/h4-6H,1-3H3
InChIKeyWSSAHZGYILZTRH-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
CID 84662941
2-(4-chloro-3-methylphenyl)-2-methylpropanenitrile
CID 69098681
1-bromo-4-(2-fluoropropan-2-yl)-2-methylbenzene;ethane
CID 176941673
tert-butylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 164960189
2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117363935
[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
CID 84658586
[(4-chloro-3-methylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302305
2-chloro-4-(2-fluoropropan-2-yl)-1-(isocyanatomethyl)benzene
CID 117327615
5-(2-fluoropropan-2-yl)-2-methylbenzoic acid
CID 84666856
3-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]propanal
CID 117329588
1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 86066300

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene?
The IUPAC name of 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene (CID 166786212) is 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene.
What is the SMILES notation for 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene?
The canonical SMILES for 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene is Cc1cc(C(C)(C)F)ccc1Cl.
What is the InChIKey of 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene?
The InChIKey is WSSAHZGYILZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-7-6-8(10(2,3)12)4-5-9(7)11/h4-6H,1-3H3.
What are the key properties of 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene?
1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene has a molecular weight of 186.66 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene is sourced from PubChem (CID 166786212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).