1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene

C17H19F — CID 71103129

IUPAC1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
SMILESCCc1ccc(C[C@@H](C)c2ccccc2)cc1F
InChIInChI=1S/C17H19F/c1-3-15-10-9-14(12-17(15)18)11-13(2)16-7-5-4-6-8-16/h4-10,12-13H,3,11H2,1-2H3/t13-/m1/s1
InChIKeyXFFUJYAUQSMVQZ-CYBMUJFWSA-N
MW242.34 g/mol
LogP4.73
Rot. Bonds4

About 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene

1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene (PubChem CID 71103129) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
PubChem CID71103129
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
SMILESCCc1ccc(C[C@@H](C)c2ccccc2)cc1F
InChIInChI=1S/C17H19F/c1-3-15-10-9-14(12-17(15)18)11-13(2)16-7-5-4-6-8-16/h4-10,12-13H,3,11H2,1-2H3/t13-/m1/s1
InChIKeyXFFUJYAUQSMVQZ-CYBMUJFWSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(2-phenylpropyl)benzene
CID 19376086
1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene
CID 130420615
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
2,4-bis(2-phenylpropyl)phenol
CID 118278794
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
2-fluoro-1-[2-[3-fluoro-4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[(2S)-2-phenylpropyl]benzene
CID 58698929
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
1,2-ditert-butyl-4-(2-phenylpropyl)benzene
CID 101326630
2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene
CID 21052743

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene?
The IUPAC name of 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene (CID 71103129) is 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene.
What is the SMILES notation for 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene?
The canonical SMILES for 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene is CCc1ccc(C[C@@H](C)c2ccccc2)cc1F.
What is the InChIKey of 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene?
The InChIKey is XFFUJYAUQSMVQZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19F/c1-3-15-10-9-14(12-17(15)18)11-13(2)16-7-5-4-6-8-16/h4-10,12-13H,3,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene?
1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene has a molecular weight of 242.34 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene is sourced from PubChem (CID 71103129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).