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

C19H20FNO2 — CID 175568714

IUPAC[6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCC1(C)CCc2cc(-c3ccccc3F)ccc2C1OC(N)=O
InChIInChI=1S/C19H20FNO2/c1-19(2)10-9-13-11-12(14-5-3-4-6-16(14)20)7-8-15(13)17(19)23-18(21)22/h3-8,11,17H,9-10H2,1-2H3,(H2,21,22)
InChIKeyAQJQHCLRPNICME-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.60
Rot. Bonds2

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

[6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate (PubChem CID 175568714) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is [6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
PubChem CID175568714
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name[6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
SMILESCC1(C)CCc2cc(-c3ccccc3F)ccc2C1OC(N)=O
InChIInChI=1S/C19H20FNO2/c1-19(2)10-9-13-11-12(14-5-3-4-6-16(14)20)7-8-15(13)17(19)23-18(21)22/h3-8,11,17H,9-10H2,1-2H3,(H2,21,22)
InChIKeyAQJQHCLRPNICME-UHFFFAOYSA-N
XLogP4.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The IUPAC name of [6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate (CID 175568714) is [6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate.
What is the SMILES notation for [6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The canonical SMILES for [6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate is CC1(C)CCc2cc(-c3ccccc3F)ccc2C1OC(N)=O.
What is the InChIKey of [6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
The InChIKey is AQJQHCLRPNICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-19(2)10-9-13-11-12(14-5-3-4-6-16(14)20)7-8-15(13)17(19)23-18(21)22/h3-8,11,17H,9-10H2,1-2H3,(H2,21,22).
What are the key properties of [6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate?
[6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate has a molecular weight of 313.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate is sourced from PubChem (CID 175568714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).