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

C18H19FN2O2 — CID 175568966

IUPAC[6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCC1(C)CCc2cc(-c3ccnc(F)c3)ccc2C1OC(N)=O
InChIInChI=1S/C18H19FN2O2/c1-18(2)7-5-13-9-11(12-6-8-21-15(19)10-12)3-4-14(13)16(18)23-17(20)22/h3-4,6,8-10,16H,5,7H2,1-2H3,(H2,20,22)
InChIKeyZYACIDUYKVCTMA-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.00
Rot. Bonds2

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

[6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate (PubChem CID 175568966) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is [6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
PubChem CID175568966
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name[6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCC1(C)CCc2cc(-c3ccnc(F)c3)ccc2C1OC(N)=O
InChIInChI=1S/C18H19FN2O2/c1-18(2)7-5-13-9-11(12-6-8-21-15(19)10-12)3-4-14(13)16(18)23-17(20)22/h3-4,6,8-10,16H,5,7H2,1-2H3,(H2,20,22)
InChIKeyZYACIDUYKVCTMA-UHFFFAOYSA-N
XLogP4.00
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The IUPAC name of [6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate (CID 175568966) is [6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate.
What is the SMILES notation for [6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The canonical SMILES for [6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate is CC1(C)CCc2cc(-c3ccnc(F)c3)ccc2C1OC(N)=O.
What is the InChIKey of [6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The InChIKey is ZYACIDUYKVCTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-18(2)7-5-13-9-11(12-6-8-21-15(19)10-12)3-4-14(13)16(18)23-17(20)22/h3-4,6,8-10,16H,5,7H2,1-2H3,(H2,20,22).
What are the key properties of [6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
[6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate has a molecular weight of 314.36 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate is sourced from PubChem (CID 175568966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).