[1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid

C14H19FN2O2 — CID 66881388

IUPAC[1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)N1Cc2cccc(F)c2C1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)12(16-13(18)19)17-7-9-5-4-6-11(15)10(9)8-17/h4-6,12,16H,7-8H2,1-3H3,(H,18,19)
InChIKeyCUJZWBVRIDCVPZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.78
Rot. Bonds2

About [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid

[1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid (PubChem CID 66881388) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid
PubChem CID66881388
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name[1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)N1Cc2cccc(F)c2C1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)12(16-13(18)19)17-7-9-5-4-6-11(15)10(9)8-17/h4-6,12,16H,7-8H2,1-3H3,(H,18,19)
InChIKeyCUJZWBVRIDCVPZ-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid (CID 66881388) is [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid is CC(C)(C)C(NC(=O)O)N1Cc2cccc(F)c2C1.
What is the InChIKey of [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid?
The InChIKey is CUJZWBVRIDCVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(2,3)12(16-13(18)19)17-7-9-5-4-6-11(15)10(9)8-17/h4-6,12,16H,7-8H2,1-3H3,(H,18,19).
What are the key properties of [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid?
[1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid has a molecular weight of 266.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 66881388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).