1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene

C14H21F — CID 68591438

IUPAC1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene
SMILESCC(C)c1cc(CCF)cc(C(C)C)c1
InChIInChI=1S/C14H21F/c1-10(2)13-7-12(5-6-15)8-14(9-13)11(3)4/h7-11H,5-6H2,1-4H3
InChIKeyGTGICYPOLZKXBF-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.45
Rot. Bonds4

About 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene

1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene (PubChem CID 68591438) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene
PubChem CID68591438
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene
SMILESCC(C)c1cc(CCF)cc(C(C)C)c1
InChIInChI=1S/C14H21F/c1-10(2)13-7-12(5-6-15)8-14(9-13)11(3)4/h7-11H,5-6H2,1-4H3
InChIKeyGTGICYPOLZKXBF-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene?
The IUPAC name of 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene (CID 68591438) is 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene is CC(C)c1cc(CCF)cc(C(C)C)c1.
What is the InChIKey of 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene?
The InChIKey is GTGICYPOLZKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-10(2)13-7-12(5-6-15)8-14(9-13)11(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene?
1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene has a molecular weight of 208.32 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 68591438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).