[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C18H18FNO2 — CID 175296738

IUPAC[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2ccc(-c3cccc(F)c3)cc2C1OC(N)=O
InChIInChI=1S/C18H18FNO2/c1-18(2)10-13-7-6-12(11-4-3-5-14(19)8-11)9-15(13)16(18)22-17(20)21/h3-9,16H,10H2,1-2H3,(H2,20,21)
InChIKeyZIQMKMCBFRFHJO-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.21
Rot. Bonds2

About [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296738) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296738
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2ccc(-c3cccc(F)c3)cc2C1OC(N)=O
InChIInChI=1S/C18H18FNO2/c1-18(2)10-13-7-6-12(11-4-3-5-14(19)8-11)9-15(13)16(18)22-17(20)21/h3-9,16H,10H2,1-2H3,(H2,20,21)
InChIKeyZIQMKMCBFRFHJO-UHFFFAOYSA-N
XLogP4.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175378977
[(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175497922
[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296717
[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 174231699
(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
CID 175296735
[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296612
[5-(2-butoxy-5-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296936
[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296610
[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568841
[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate
CID 175254067
[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296886
[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498082

Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296738) is [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CC1(C)Cc2ccc(-c3cccc(F)c3)cc2C1OC(N)=O.
What is the InChIKey of [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is ZIQMKMCBFRFHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-18(2)10-13-7-6-12(11-4-3-5-14(19)8-11)9-15(13)16(18)22-17(20)21/h3-9,16H,10H2,1-2H3,(H2,20,21).
What are the key properties of [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 299.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).