1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene

C13H19F — CID 58964096

IUPAC1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(F)C(C)C)cc1
InChIInChI=1S/C13H19F/c1-9(2)11-5-7-12(8-6-11)13(14)10(3)4/h5-10,13H,1-4H3
InChIKeyMLOCMOKVZNOXPN-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.48
Rot. Bonds3

About 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene

1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene (PubChem CID 58964096) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene
PubChem CID58964096
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(F)C(C)C)cc1
InChIInChI=1S/C13H19F/c1-9(2)11-5-7-12(8-6-11)13(14)10(3)4/h5-10,13H,1-4H3
InChIKeyMLOCMOKVZNOXPN-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(1-fluoro-2-methylpropyl)aniline
CID 83855607
1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride
CID 174326985
trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
CID 89412455
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
(4-propan-2-ylphenyl)phosphane
CID 59263013
CID 145383869
CID 145383869
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone
CID 91636257
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene (CID 58964096) is 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene is CC(C)c1ccc(C(F)C(C)C)cc1.
What is the InChIKey of 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene?
The InChIKey is MLOCMOKVZNOXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-9(2)11-5-7-12(8-6-11)13(14)10(3)4/h5-10,13H,1-4H3.
What are the key properties of 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene?
1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene has a molecular weight of 194.29 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 58964096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).