[6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C18H17F2NO2 — CID 175296645

IUPAC[6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2ccc(-c3ccc(F)c(F)c3)cc2C1OC(N)=O
InChIInChI=1S/C18H17F2NO2/c1-18(2)9-12-4-3-10(7-13(12)16(18)23-17(21)22)11-5-6-14(19)15(20)8-11/h3-8,16H,9H2,1-2H3,(H2,21,22)
InChIKeyQCJZLXYGZMXZTB-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.35
Rot. Bonds2

About [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296645) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296645
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name[6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2ccc(-c3ccc(F)c(F)c3)cc2C1OC(N)=O
InChIInChI=1S/C18H17F2NO2/c1-18(2)9-12-4-3-10(7-13(12)16(18)23-17(21)22)11-5-6-14(19)15(20)8-11/h3-8,16H,9H2,1-2H3,(H2,21,22)
InChIKeyQCJZLXYGZMXZTB-UHFFFAOYSA-N
XLogP4.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296645) is [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CC1(C)Cc2ccc(-c3ccc(F)c(F)c3)cc2C1OC(N)=O.
What is the InChIKey of [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is QCJZLXYGZMXZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c1-18(2)9-12-4-3-10(7-13(12)16(18)23-17(21)22)11-5-6-14(19)15(20)8-11/h3-8,16H,9H2,1-2H3,(H2,21,22).
What are the key properties of [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 317.34 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).