1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene

C17H19F — CID 142366211

IUPAC1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene
SMILESCCc1cc(-c2ccccc2)cc(C(C)C)c1F
InChIInChI=1S/C17H19F/c1-4-13-10-15(14-8-6-5-7-9-14)11-16(12(2)3)17(13)18/h5-12H,4H2,1-3H3
InChIKeyNUNLQQZUEQBXIY-UHFFFAOYSA-N
MW242.34 g/mol
LogP5.18
Rot. Bonds3

About 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene

1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene (PubChem CID 142366211) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene
PubChem CID142366211
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene
SMILESCCc1cc(-c2ccccc2)cc(C(C)C)c1F
InChIInChI=1S/C17H19F/c1-4-13-10-15(14-8-6-5-7-9-14)11-16(12(2)3)17(13)18/h5-12H,4H2,1-3H3
InChIKeyNUNLQQZUEQBXIY-UHFFFAOYSA-N
XLogP5.18
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 ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985
1-fluoro-4-phenyl-2-propan-2-ylbenzene
CID 134581183
CID 171468303
CID 171468303
2-isocyano-5-phenyl-1,3-di(propan-2-yl)benzene
CID 139123948
[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid
CID 155616354
3-(4-fluoro-3-methyl-5-propan-2-ylphenyl)benzoic acid
CID 142366462
4-ethyl-2-phenyl-6-propan-2-ylaniline
CID 174291745
2-(4-fluorophenyl)-6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyridine
CID 171438718
4-phenyl-2-propan-2-ylbenzaldehyde
CID 14895374
2-chloro-4-phenyl-6-propan-2-ylphenol
CID 146604618
3-ethyl-N,N-diphenyl-4-propan-2-ylaniline
CID 153273893

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene?
The IUPAC name of 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene (CID 142366211) is 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene.
What is the SMILES notation for 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene?
The canonical SMILES for 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene is CCc1cc(-c2ccccc2)cc(C(C)C)c1F.
What is the InChIKey of 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene?
The InChIKey is NUNLQQZUEQBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-4-13-10-15(14-8-6-5-7-9-14)11-16(12(2)3)17(13)18/h5-12H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene?
1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene has a molecular weight of 242.34 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene is sourced from PubChem (CID 142366211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).