[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate

C20H20F3NO2 — CID 175568841

IUPAC[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCC1(C)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C1OC(N)=O
InChIInChI=1S/C20H20F3NO2/c1-19(2)10-9-14-11-13(5-8-16(14)17(19)26-18(24)25)12-3-6-15(7-4-12)20(21,22)23/h3-8,11,17H,9-10H2,1-2H3,(H2,24,25)
InChIKeyMHAHUZDMRJLREL-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.48
Rot. Bonds2

About [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate

[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate (PubChem CID 175568841) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
PubChem CID175568841
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCC1(C)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C1OC(N)=O
InChIInChI=1S/C20H20F3NO2/c1-19(2)10-9-14-11-13(5-8-16(14)17(19)26-18(24)25)12-3-6-15(7-4-12)20(21,22)23/h3-8,11,17H,9-10H2,1-2H3,(H2,24,25)
InChIKeyMHAHUZDMRJLREL-UHFFFAOYSA-N
XLogP5.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate (CID 175568841) is [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate is CC1(C)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C1OC(N)=O.
What is the InChIKey of [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The InChIKey is MHAHUZDMRJLREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-19(2)10-9-14-11-13(5-8-16(14)17(19)26-18(24)25)12-3-6-15(7-4-12)20(21,22)23/h3-8,11,17H,9-10H2,1-2H3,(H2,24,25).
What are the key properties of [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate has a molecular weight of 363.38 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate is sourced from PubChem (CID 175568841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).