ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene

C19H27F — CID 144634978

IUPACethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
SMILESCC.CC.CC(C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C15H15F.2C2H6/c1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyLZBQGMVCKSYHTQ-UHFFFAOYSA-N
MW274.42 g/mol
LogP6.67
Rot. Bonds2

About ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene

ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene (PubChem CID 144634978) has the molecular formula C19H27F and a molecular weight of 274.42 g/mol. Its IUPAC name is ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
PubChem CID144634978
Molecular FormulaC19H27F
Molecular Weight274.42 g/mol
Exact Mass274.21
IUPAC Nameethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
SMILESCC.CC.CC(C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C15H15F.2C2H6/c1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyLZBQGMVCKSYHTQ-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.42
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene?
The IUPAC name of ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene (CID 144634978) is ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene?
The canonical SMILES for ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene is CC.CC.CC(C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene?
The InChIKey is LZBQGMVCKSYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F.2C2H6/c1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;2*1-2/h3-11H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene?
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene has a molecular weight of 274.42 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene is sourced from PubChem (CID 144634978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).