N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C12H15F2N — CID 60922527

IUPACN-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESFC(F)CNc1cccc2c1CCCC2
InChIInChI=1S/C12H15F2N/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7,12,15H,1-2,4,6,8H2
InChIKeyJKROJOKAPRZCMJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.24
Rot. Bonds3

About N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 60922527) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID60922527
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESFC(F)CNc1cccc2c1CCCC2
InChIInChI=1S/C12H15F2N/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7,12,15H,1-2,4,6,8H2
InChIKeyJKROJOKAPRZCMJ-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114265228
3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile
CID 103366909
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
1-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 28573004
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43129204
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663334

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 60922527) is N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is FC(F)CNc1cccc2c1CCCC2.
What is the InChIKey of N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is JKROJOKAPRZCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7,12,15H,1-2,4,6,8H2.
What are the key properties of N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 211.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 60922527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).