1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene

C17H19F — CID 142025123

IUPAC1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
SMILESCCc1ccc(-c2ccc(C(C)(C)F)cc2)cc1
InChIInChI=1S/C17H19F/c1-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)18/h5-12H,4H2,1-3H3
InChIKeyUPYRGRYKEPUHOZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP5.12
Rot. Bonds3

About 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene

1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene (PubChem CID 142025123) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
PubChem CID142025123
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
SMILESCCc1ccc(-c2ccc(C(C)(C)F)cc2)cc1
InChIInChI=1S/C17H19F/c1-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)18/h5-12H,4H2,1-3H3
InChIKeyUPYRGRYKEPUHOZ-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.34
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
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1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
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1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117380123
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine
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1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
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2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene (CID 142025123) is 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene is CCc1ccc(-c2ccc(C(C)(C)F)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene?
The InChIKey is UPYRGRYKEPUHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)18/h5-12H,4H2,1-3H3.
What are the key properties of 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene?
1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene has a molecular weight of 242.34 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene is sourced from PubChem (CID 142025123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).