1-fluoro-4-propan-2-ylbenzene;2-methylpropane

C13H21F — CID 177367696

IUPAC1-fluoro-4-propan-2-ylbenzene;2-methylpropane
SMILESCC(C)C.CC(C)c1ccc(F)cc1
InChIInChI=1S/C9H11F.C4H10/c1-7(2)8-3-5-9(10)6-4-8;1-4(2)3/h3-7H,1-2H3;4H,1-3H3
InChIKeyZYPLSNNGVCGIPD-UHFFFAOYSA-N
MW196.31 g/mol
LogP4.61
Rot. Bonds1

About 1-fluoro-4-propan-2-ylbenzene;2-methylpropane

1-fluoro-4-propan-2-ylbenzene;2-methylpropane (PubChem CID 177367696) has the molecular formula C13H21F and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-fluoro-4-propan-2-ylbenzene;2-methylpropane.

Molecular Properties

Compound Name1-fluoro-4-propan-2-ylbenzene;2-methylpropane
PubChem CID177367696
Molecular FormulaC13H21F
Molecular Weight196.31 g/mol
Exact Mass196.16
IUPAC Name1-fluoro-4-propan-2-ylbenzene;2-methylpropane
SMILESCC(C)C.CC(C)c1ccc(F)cc1
InChIInChI=1S/C9H11F.C4H10/c1-7(2)8-3-5-9(10)6-4-8;1-4(2)3/h3-7H,1-2H3;4H,1-3H3
InChIKeyZYPLSNNGVCGIPD-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane
CID 157271017
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 142619268
cumene;1-fluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 159517026
bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane
CID 158662647
1,4-difluorobenzene bromide
CID 21301175
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
CID 166842431
3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
CID 159981381
ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene
CID 166104050
3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82092276

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propan-2-ylbenzene;2-methylpropane?
The IUPAC name of 1-fluoro-4-propan-2-ylbenzene;2-methylpropane (CID 177367696) is 1-fluoro-4-propan-2-ylbenzene;2-methylpropane.
What is the SMILES notation for 1-fluoro-4-propan-2-ylbenzene;2-methylpropane?
The canonical SMILES for 1-fluoro-4-propan-2-ylbenzene;2-methylpropane is CC(C)C.CC(C)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-propan-2-ylbenzene;2-methylpropane?
The InChIKey is ZYPLSNNGVCGIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C4H10/c1-7(2)8-3-5-9(10)6-4-8;1-4(2)3/h3-7H,1-2H3;4H,1-3H3.
What are the key properties of 1-fluoro-4-propan-2-ylbenzene;2-methylpropane?
1-fluoro-4-propan-2-ylbenzene;2-methylpropane has a molecular weight of 196.31 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propan-2-ylbenzene;2-methylpropane is sourced from PubChem (CID 177367696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).