[(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid

C21H24FNO3 — CID 174172468

IUPAC[(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid
SMILESCC(C)Oc1ccc(-c2cc3c(cc2F)[C@H](NC(=O)O)C(C)(C)C3)cc1
InChIInChI=1S/C21H24FNO3/c1-12(2)26-15-7-5-13(6-8-15)16-9-14-11-21(3,4)19(23-20(24)25)17(14)10-18(16)22/h5-10,12,19,23H,11H2,1-4H3,(H,24,25)/t19-/m0/s1
InChIKeyFTMVUGBMIAFACF-IBGZPJMESA-N
MW357.43 g/mol
LogP5.17
Rot. Bonds4

About [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid

[(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid (PubChem CID 174172468) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid
PubChem CID174172468
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name[(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid
SMILESCC(C)Oc1ccc(-c2cc3c(cc2F)[C@H](NC(=O)O)C(C)(C)C3)cc1
InChIInChI=1S/C21H24FNO3/c1-12(2)26-15-7-5-13(6-8-15)16-9-14-11-21(3,4)19(23-20(24)25)17(14)10-18(16)22/h5-10,12,19,23H,11H2,1-4H3,(H,24,25)/t19-/m0/s1
InChIKeyFTMVUGBMIAFACF-IBGZPJMESA-N
XLogP5.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid with MolForge

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Related Compounds

[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172324
[(1R)-6-fluoro-5-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172402
[(1R)-6-fluoro-5-(3-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172406
[(1R)-5-(4-butylphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172435
[(1R)-5-(4-butoxyphenyl)-2,2,6-trimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172510
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1R)-5-(2-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamate
CID 175822112
[(1S)-7-fluoro-2,2-dimethyl-6-(4-propylphenyl)-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
CID 174226523
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1R)-6-fluoro-2,2-dimethyl-5-[4-(2-methylpropoxy)phenyl]-1,3-dihydroinden-1-yl]carbamate
CID 166127418
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[5-(4-ethoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamate
CID 175766637
[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498082
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[5-(4-butoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamate
CID 156739651
[(1R)-5-(3-fluoro-4-propoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172416

Frequently Asked Questions

What is the IUPAC name of [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid?
The IUPAC name of [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid (CID 174172468) is [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid.
What is the SMILES notation for [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid?
The canonical SMILES for [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid is CC(C)Oc1ccc(-c2cc3c(cc2F)[C@H](NC(=O)O)C(C)(C)C3)cc1.
What is the InChIKey of [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid?
The InChIKey is FTMVUGBMIAFACF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24FNO3/c1-12(2)26-15-7-5-13(6-8-15)16-9-14-11-21(3,4)19(23-20(24)25)17(14)10-18(16)22/h5-10,12,19,23H,11H2,1-4H3,(H,24,25)/t19-/m0/s1.
What are the key properties of [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid?
[(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid has a molecular weight of 357.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-fluoro-2,2-dimethyl-5-(4-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid is sourced from PubChem (CID 174172468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).