[5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C18H18FNO2 — CID 175296634

IUPAC[5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3ccc(F)cc3)ccc2C1OC(N)=O
InChIInChI=1S/C18H18FNO2/c1-18(2)10-13-9-12(11-3-6-14(19)7-4-11)5-8-15(13)16(18)22-17(20)21/h3-9,16H,10H2,1-2H3,(H2,20,21)
InChIKeyHYKYSZGFBZZFJS-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.21
Rot. Bonds2

About [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296634) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296634
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name[5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3ccc(F)cc3)ccc2C1OC(N)=O
InChIInChI=1S/C18H18FNO2/c1-18(2)10-13-9-12(11-3-6-14(19)7-4-11)5-8-15(13)16(18)22-17(20)21/h3-9,16H,10H2,1-2H3,(H2,20,21)
InChIKeyHYKYSZGFBZZFJS-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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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296634) is [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CC1(C)Cc2cc(-c3ccc(F)cc3)ccc2C1OC(N)=O.
What is the InChIKey of [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is HYKYSZGFBZZFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-18(2)10-13-9-12(11-3-6-14(19)7-4-11)5-8-15(13)16(18)22-17(20)21/h3-9,16H,10H2,1-2H3,(H2,20,21).
What are the key properties of [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-(4-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 [5-(4-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).