[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea

C11H11F3N2O — CID 118069870

IUPAC[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea
SMILESNC(=O)NC1CCc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-3-1-2-7-6(8)4-5-9(7)16-10(15)17/h1-3,9H,4-5H2,(H3,15,16,17)
InChIKeyIZRYJZRRFCUAMY-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.36
Rot. Bonds1

About [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea

[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 118069870) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID118069870
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea
SMILESNC(=O)NC1CCc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-3-1-2-7-6(8)4-5-9(7)16-10(15)17/h1-3,9H,4-5H2,(H3,15,16,17)
InChIKeyIZRYJZRRFCUAMY-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9H-fluoren-9-yl)-1,1-dimethylurea
CID 950587
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044930
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044931
Urea, 1-(2-chloroethyl)-3-(1-indanyl)-
CID 293506
1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea
CID 127041686
Urea, 1-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 98051
N-((2,6-Dimethylphenyl)methyl)urea
CID 205283
N-cyclopentyl-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 753414
spiro[tetrahydro-1H-imidazole-4,1''-(2'',3''-dihydro-1''H-indene)]-2-one
CID 13953793
N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 302326
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)formamide
CID 3058663
9-(2,2,2-Trifluoroacetamido)fluorene
CID 245480

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea (CID 118069870) is [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea is NC(=O)NC1CCc2c1cccc2C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is IZRYJZRRFCUAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)8-3-1-2-7-6(8)4-5-9(7)16-10(15)17/h1-3,9H,4-5H2,(H3,15,16,17).
What are the key properties of [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea?
[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 244.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 118069870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).