1,2-difluoro-4-propan-2-ylbenzene;propane

C12H18F2 — CID 143774679

IUPAC1,2-difluoro-4-propan-2-ylbenzene;propane
SMILESCC(C)c1ccc(F)c(F)c1.CCC
InChIInChI=1S/C9H10F2.C3H8/c1-6(2)7-3-4-8(10)9(11)5-7;1-3-2/h3-6H,1-2H3;3H2,1-2H3
InChIKeyYWRNXFLTBRZKCX-UHFFFAOYSA-N
MW200.27 g/mol
LogP4.50
Rot. Bonds1

About 1,2-difluoro-4-propan-2-ylbenzene;propane

1,2-difluoro-4-propan-2-ylbenzene;propane (PubChem CID 143774679) has the molecular formula C12H18F2 and a molecular weight of 200.27 g/mol. Its IUPAC name is 1,2-difluoro-4-propan-2-ylbenzene;propane.

Molecular Properties

Compound Name1,2-difluoro-4-propan-2-ylbenzene;propane
PubChem CID143774679
Molecular FormulaC12H18F2
Molecular Weight200.27 g/mol
Exact Mass200.14
IUPAC Name1,2-difluoro-4-propan-2-ylbenzene;propane
SMILESCC(C)c1ccc(F)c(F)c1.CCC
InChIInChI=1S/C9H10F2.C3H8/c1-6(2)7-3-4-8(10)9(11)5-7;1-3-2/h3-6H,1-2H3;3H2,1-2H3
InChIKeyYWRNXFLTBRZKCX-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 169242567
1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 177076550
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
1,2-difluoro-4-(1-iodopropyl)benzene
CID 70110065
4-(1-bromopropan-2-yl)-1,2-difluorobenzene
CID 66469255
6-(3,4-difluorophenyl)heptan-3-amine
CID 83936159
N-ethyl-2-fluoro-4-propan-2-ylaniline
CID 134414271
2-(3,4-difluorophenyl)pentan-3-one
CID 79307864
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-propan-2-ylbenzene;propane?
The IUPAC name of 1,2-difluoro-4-propan-2-ylbenzene;propane (CID 143774679) is 1,2-difluoro-4-propan-2-ylbenzene;propane.
What is the SMILES notation for 1,2-difluoro-4-propan-2-ylbenzene;propane?
The canonical SMILES for 1,2-difluoro-4-propan-2-ylbenzene;propane is CC(C)c1ccc(F)c(F)c1.CCC.
What is the InChIKey of 1,2-difluoro-4-propan-2-ylbenzene;propane?
The InChIKey is YWRNXFLTBRZKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C3H8/c1-6(2)7-3-4-8(10)9(11)5-7;1-3-2/h3-6H,1-2H3;3H2,1-2H3.
What are the key properties of 1,2-difluoro-4-propan-2-ylbenzene;propane?
1,2-difluoro-4-propan-2-ylbenzene;propane has a molecular weight of 200.27 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-propan-2-ylbenzene;propane is sourced from PubChem (CID 143774679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).