[(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate

C21H24FNO2 — CID 175497959

IUPAC[(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCCc1ccc(-c2cc3c(cc2F)[C@H](OC(N)=O)C(C)(C)CC3)cc1
InChIInChI=1S/C21H24FNO2/c1-4-13-5-7-14(8-6-13)16-11-15-9-10-21(2,3)19(25-20(23)24)17(15)12-18(16)22/h5-8,11-12,19H,4,9-10H2,1-3H3,(H2,23,24)/t19-/m0/s1
InChIKeyREAQCISBIMMMHJ-IBGZPJMESA-N
MW341.43 g/mol
LogP5.16
Rot. Bonds3

About [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate

[(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate (PubChem CID 175497959) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
PubChem CID175497959
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name[(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCCc1ccc(-c2cc3c(cc2F)[C@H](OC(N)=O)C(C)(C)CC3)cc1
InChIInChI=1S/C21H24FNO2/c1-4-13-5-7-14(8-6-13)16-11-15-9-10-21(2,3)19(25-20(23)24)17(15)12-18(16)22/h5-8,11-12,19H,4,9-10H2,1-3H3,(H2,23,24)/t19-/m0/s1
InChIKeyREAQCISBIMMMHJ-IBGZPJMESA-N
XLogP5.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The IUPAC name of [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate (CID 175497959) is [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate.
What is the SMILES notation for [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The canonical SMILES for [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate is CCc1ccc(-c2cc3c(cc2F)[C@H](OC(N)=O)C(C)(C)CC3)cc1.
What is the InChIKey of [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The InChIKey is REAQCISBIMMMHJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24FNO2/c1-4-13-5-7-14(8-6-13)16-11-15-9-10-21(2,3)19(25-20(23)24)17(15)12-18(16)22/h5-8,11-12,19H,4,9-10H2,1-3H3,(H2,23,24)/t19-/m0/s1.
What are the key properties of [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
[(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate has a molecular weight of 341.43 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate is sourced from PubChem (CID 175497959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).