[5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate

C19H16F3NO2 — CID 174231701

IUPAC[5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate
SMILESNC(=O)OC1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2CC12CC2
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)14-4-1-11(2-5-14)12-3-6-15-13(9-12)10-18(7-8-18)16(15)25-17(23)24/h1-6,9,16H,7-8,10H2,(H2,23,24)
InChIKeyRVOHHBOAFCEBHO-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.85
Rot. Bonds2

About [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate

[5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate (PubChem CID 174231701) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate.

Molecular Properties

Compound Name[5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate
PubChem CID174231701
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name[5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate
SMILESNC(=O)OC1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2CC12CC2
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)14-4-1-11(2-5-14)12-3-6-15-13(9-12)10-18(7-8-18)16(15)25-17(23)24/h1-6,9,16H,7-8,10H2,(H2,23,24)
InChIKeyRVOHHBOAFCEBHO-UHFFFAOYSA-N
XLogP4.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate?
The IUPAC name of [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate (CID 174231701) is [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate.
What is the SMILES notation for [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate?
The canonical SMILES for [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate is NC(=O)OC1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2CC12CC2.
What is the InChIKey of [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate?
The InChIKey is RVOHHBOAFCEBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)14-4-1-11(2-5-14)12-3-6-15-13(9-12)10-18(7-8-18)16(15)25-17(23)24/h1-6,9,16H,7-8,10H2,(H2,23,24).
What are the key properties of [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate?
[5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate has a molecular weight of 347.34 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate is sourced from PubChem (CID 174231701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).