1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine

C13H12F3N — CID 63898473

IUPAC1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
SMILESCC(N)(c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C13H12F3N/c1-12(17,13(14,15)16)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,17H2,1H3
InChIKeyULKRDRBEDUMYMK-UHFFFAOYSA-N
MW239.24 g/mol
LogP3.58
Rot. Bonds1

About 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine

1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine (PubChem CID 63898473) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
PubChem CID63898473
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
SMILESCC(N)(c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C13H12F3N/c1-12(17,13(14,15)16)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,17H2,1H3
InChIKeyULKRDRBEDUMYMK-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
(2S)-2-amino-2-naphthalen-1-ylpropanal
CID 87513009
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
1-[difluoro(methylsulfanyl)methyl]naphthalene
CID 14982601
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)naphthalene
CID 12871981
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine
CID 22486889
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999
ethyl 3,3,3-trifluoro-2-hydroxy-2-naphthalen-1-ylpropanoate
CID 12060174
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine (CID 63898473) is 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine is CC(N)(c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine?
The InChIKey is ULKRDRBEDUMYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N/c1-12(17,13(14,15)16)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,17H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine?
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine has a molecular weight of 239.24 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine is sourced from PubChem (CID 63898473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).