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

C19H19F3N2O2 — CID 175568973

IUPAC[2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCC1(C)CCc2cc(-c3ccnc(C(F)(F)F)c3)ccc2C1OC(N)=O
InChIInChI=1S/C19H19F3N2O2/c1-18(2)7-5-13-9-11(3-4-14(13)16(18)26-17(23)25)12-6-8-24-15(10-12)19(20,21)22/h3-4,6,8-10,16H,5,7H2,1-2H3,(H2,23,25)
InChIKeyUDAOTIZZRCOCPC-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.88
Rot. Bonds2

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

[2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate (PubChem CID 175568973) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is [2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
PubChem CID175568973
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name[2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCC1(C)CCc2cc(-c3ccnc(C(F)(F)F)c3)ccc2C1OC(N)=O
InChIInChI=1S/C19H19F3N2O2/c1-18(2)7-5-13-9-11(3-4-14(13)16(18)26-17(23)25)12-6-8-24-15(10-12)19(20,21)22/h3-4,6,8-10,16H,5,7H2,1-2H3,(H2,23,25)
InChIKeyUDAOTIZZRCOCPC-UHFFFAOYSA-N
XLogP4.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate (CID 175568973) is [2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate is CC1(C)CCc2cc(-c3ccnc(C(F)(F)F)c3)ccc2C1OC(N)=O.
What is the InChIKey of [2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The InChIKey is UDAOTIZZRCOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-18(2)7-5-13-9-11(3-4-14(13)16(18)26-17(23)25)12-6-8-24-15(10-12)19(20,21)22/h3-4,6,8-10,16H,5,7H2,1-2H3,(H2,23,25).
What are the key properties of [2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
[2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate has a molecular weight of 364.37 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate is sourced from PubChem (CID 175568973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).