2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol

C16H18F3NO — CID 115516053

IUPAC2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
SMILESCC(NCCCC(F)(F)F)c1ccc2ccccc2c1O
InChIInChI=1S/C16H18F3NO/c1-11(20-10-4-9-16(17,18)19)13-8-7-12-5-2-3-6-14(12)15(13)21/h2-3,5-8,11,20-21H,4,9-10H2,1H3
InChIKeyFLNBUSCYFTZAPO-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.54
Rot. Bonds5

About 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol

2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol (PubChem CID 115516053) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
PubChem CID115516053
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
SMILESCC(NCCCC(F)(F)F)c1ccc2ccccc2c1O
InChIInChI=1S/C16H18F3NO/c1-11(20-10-4-9-16(17,18)19)13-8-7-12-5-2-3-6-14(12)15(13)21/h2-3,5-8,11,20-21H,4,9-10H2,1H3
InChIKeyFLNBUSCYFTZAPO-UHFFFAOYSA-N
XLogP4.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
4-[1-(5,5,5-trifluoropentylamino)ethyl]benzene-1,3-diol
CID 115517298
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
4,4,4-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]butan-1-amine
CID 115513840
4,4,4-trifluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]butan-1-amine
CID 113326391
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802
2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
CID 63226241
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol (CID 115516053) is 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol is CC(NCCCC(F)(F)F)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol?
The InChIKey is FLNBUSCYFTZAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-11(20-10-4-9-16(17,18)19)13-8-7-12-5-2-3-6-14(12)15(13)21/h2-3,5-8,11,20-21H,4,9-10H2,1H3.
What are the key properties of 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol?
2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol has a molecular weight of 297.32 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol is sourced from PubChem (CID 115516053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).