2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine

C13H13F6NO — CID 102721910

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6NO/c1-20-10-8-5-3-2-4-7(8)6-9(10)21-11(12(14,15)16)13(17,18)19/h2-5,9-11,20H,6H2,1H3
InChIKeyYRABSSOULGKXSX-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.38
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 102721910) has the molecular formula C13H13F6NO and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID102721910
Molecular FormulaC13H13F6NO
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6NO/c1-20-10-8-5-3-2-4-7(8)6-9(10)21-11(12(14,15)16)13(17,18)19/h2-5,9-11,20H,6H2,1H3
InChIKeyYRABSSOULGKXSX-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

N-propan-2-yl-2-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
CID 58384247
(1S,2R)-N-propan-2-yl-2-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
CID 58384530
2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64745338
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102721883
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82788201
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103401891
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151
(1R)-2-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 166823758
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64619137
N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine
CID 55031640

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 102721910) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YRABSSOULGKXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO/c1-20-10-8-5-3-2-4-7(8)6-9(10)21-11(12(14,15)16)13(17,18)19/h2-5,9-11,20H,6H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 313.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 102721910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).