2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene

C17H17F — CID 167219024

IUPAC2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene
SMILESCCc1ccc(F)c(-c2ccc(C3CC3)cc2)c1
InChIInChI=1S/C17H17F/c1-2-12-3-10-17(18)16(11-12)15-8-6-14(7-9-15)13-4-5-13/h3,6-11,13H,2,4-5H2,1H3
InChIKeyKTMKRAWYEVCGSP-UHFFFAOYSA-N
MW240.32 g/mol
LogP4.93
Rot. Bonds3

About 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene

2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene (PubChem CID 167219024) has the molecular formula C17H17F and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene
PubChem CID167219024
Molecular FormulaC17H17F
Molecular Weight240.32 g/mol
Exact Mass240.13
IUPAC Name2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene
SMILESCCc1ccc(F)c(-c2ccc(C3CC3)cc2)c1
InChIInChI=1S/C17H17F/c1-2-12-3-10-17(18)16(11-12)15-8-6-14(7-9-15)13-4-5-13/h3,6-11,13H,2,4-5H2,1H3
InChIKeyKTMKRAWYEVCGSP-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
CID 82119035
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
2-cyclopropyl-5-(5-ethyl-2-fluorophenyl)pyrazine
CID 167219286
1-[4-(4-butylcyclohexyl)phenyl]-2,4,5-trifluorobenzene
CID 67805684
4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene
CID 140843040
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-(4-ethylphenyl)-2-fluoro-4-[4-[4-(4-methylcyclohexyl)oxybutoxy]cyclohexyl]benzene
CID 59265436
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
CID 158616323

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene?
The IUPAC name of 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene (CID 167219024) is 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene?
The canonical SMILES for 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene is CCc1ccc(F)c(-c2ccc(C3CC3)cc2)c1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene?
The InChIKey is KTMKRAWYEVCGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F/c1-2-12-3-10-17(18)16(11-12)15-8-6-14(7-9-15)13-4-5-13/h3,6-11,13H,2,4-5H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene?
2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene has a molecular weight of 240.32 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene is sourced from PubChem (CID 167219024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).