(1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene

C24H23F — CID 166479948

IUPAC(1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C24H23F/c1-2-17-13-20-7-3-4-12-23(20)24(14-17)21-10-5-8-18(15-21)19-9-6-11-22(25)16-19/h3-12,15-17,24H,2,13-14H2,1H3/t17-,24-/m1/s1
InChIKeyWRMCLWZPNPMALY-MZNJEOGPSA-N
MW330.45 g/mol
LogP6.60
Rot. Bonds3

About (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene

(1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 166479948) has the molecular formula C24H23F and a molecular weight of 330.45 g/mol. Its IUPAC name is (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID166479948
Molecular FormulaC24H23F
Molecular Weight330.45 g/mol
Exact Mass330.18
IUPAC Name(1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C24H23F/c1-2-17-13-20-7-3-4-12-23(20)24(14-17)21-10-5-8-18(15-21)19-9-6-11-22(25)16-19/h3-12,15-17,24H,2,13-14H2,1H3/t17-,24-/m1/s1
InChIKeyWRMCLWZPNPMALY-MZNJEOGPSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166638679
3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479897
ethane;3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479896
(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 166479964
(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729275
(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166638669
2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan
CID 166479963
1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine
CID 59582001
1-[(1S,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine
CID 59581966
(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159474577
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 66396128
(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118729258

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 166479948) is (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene is CC[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3cccc(F)c3)c2)C1.
What is the InChIKey of (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WRMCLWZPNPMALY-MZNJEOGPSA-N. The full InChI is InChI=1S/C24H23F/c1-2-17-13-20-7-3-4-12-23(20)24(14-17)21-10-5-8-18(15-21)19-9-6-11-22(25)16-19/h3-12,15-17,24H,2,13-14H2,1H3/t17-,24-/m1/s1.
What are the key properties of (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
(1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 330.45 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 166479948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).