(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine

C13H10F5N — CID 171311499

IUPAC(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine
SMILESN[C@@H](c1ccc2ccccc2c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F5N/c14-12(15,13(16,17)18)11(19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,19H2/t11-/m0/s1
InChIKeyQESDZDGQODLPOB-NSHDSACASA-N
MW275.22 g/mol
LogP4.04
Rot. Bonds2

About (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine

(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine (PubChem CID 171311499) has the molecular formula C13H10F5N and a molecular weight of 275.22 g/mol. Its IUPAC name is (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine
PubChem CID171311499
Molecular FormulaC13H10F5N
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC Name(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine
SMILESN[C@@H](c1ccc2ccccc2c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F5N/c14-12(15,13(16,17)18)11(19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,19H2/t11-/m0/s1
InChIKeyQESDZDGQODLPOB-NSHDSACASA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 171312213
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine
CID 43248519
(1S)-2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-amine
CID 171311776
(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 93268532
(1R)-2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
CID 171312478
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-amine
CID 79197880
(1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171312375
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
amino(naphthalen-2-yl)methanethiol
CID 116939563
1-naphthalen-2-ylethanamine
CID 3857145
amino(naphthalen-2-yl)methanol
CID 57110079

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine?
The IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine (CID 171311499) is (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine.
What is the SMILES notation for (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine?
The canonical SMILES for (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine is N[C@@H](c1ccc2ccccc2c1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine?
The InChIKey is QESDZDGQODLPOB-NSHDSACASA-N. The full InChI is InChI=1S/C13H10F5N/c14-12(15,13(16,17)18)11(19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,19H2/t11-/m0/s1.
What are the key properties of (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine?
(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine has a molecular weight of 275.22 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine is sourced from PubChem (CID 171311499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).