3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile

C14H15F3N2 — CID 103366909

IUPAC3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile
SMILESN#CC(CNc1cccc2c1CCCC2)C(F)(F)F
InChIInChI=1S/C14H15F3N2/c15-14(16,17)11(8-18)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,11,19H,1-2,4,6,9H2
InChIKeyYDRLWCNDOYZYHT-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.68
Rot. Bonds3

About 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile

3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile (PubChem CID 103366909) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile
PubChem CID103366909
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile
SMILESN#CC(CNc1cccc2c1CCCC2)C(F)(F)F
InChIInChI=1S/C14H15F3N2/c15-14(16,17)11(8-18)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,11,19H,1-2,4,6,9H2
InChIKeyYDRLWCNDOYZYHT-UHFFFAOYSA-N
XLogP3.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114265228
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
3,3,3-trifluoro-2-[(2-phenylanilino)methyl]propanenitrile
CID 103366890
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617
3,3,3-trifluoro-2-[(3-iodo-2-methylanilino)methyl]propanenitrile
CID 114257344
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol
CID 81411790
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile (CID 103366909) is 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile is N#CC(CNc1cccc2c1CCCC2)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile?
The InChIKey is YDRLWCNDOYZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c15-14(16,17)11(8-18)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,11,19H,1-2,4,6,9H2.
What are the key properties of 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile?
3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile has a molecular weight of 268.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile is sourced from PubChem (CID 103366909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).