N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine

C12H14F3N — CID 64554180

IUPACN-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)(F)CCNc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14F3N/c13-12(14,15)6-7-16-11-5-4-9-2-1-3-10(9)8-11/h4-5,8,16H,1-3,6-7H2
InChIKeyNDQFPPUIYRRMHR-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.54
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine

N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 64554180) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID64554180
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)(F)CCNc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14F3N/c13-12(14,15)6-7-16-11-5-4-9-2-1-3-10(9)8-11/h4-5,8,16H,1-3,6-7H2
InChIKeyNDQFPPUIYRRMHR-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
CID 115205117
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 116534020
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43560294
N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 81095205

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine (CID 64554180) is N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine is FC(F)(F)CCNc1ccc2c(c1)CCC2.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is NDQFPPUIYRRMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)6-7-16-11-5-4-9-2-1-3-10(9)8-11/h4-5,8,16H,1-3,6-7H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine?
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 229.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 64554180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).