N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C16H22F3N — CID 116534733

IUPACN-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(CCCC(F)(F)F)NC1CCc2ccccc2C1
InChIInChI=1S/C16H22F3N/c1-12(5-4-10-16(17,18)19)20-15-9-8-13-6-2-3-7-14(13)11-15/h2-3,6-7,12,15,20H,4-5,8-11H2,1H3
InChIKeyFGZAYYSXOKBVFR-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.25
Rot. Bonds5

About N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 116534733) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID116534733
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(CCCC(F)(F)F)NC1CCc2ccccc2C1
InChIInChI=1S/C16H22F3N/c1-12(5-4-10-16(17,18)19)20-15-9-8-13-6-2-3-7-14(13)11-15/h2-3,6-7,12,15,20H,4-5,8-11H2,1H3
InChIKeyFGZAYYSXOKBVFR-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 116534733) is N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is CC(CCCC(F)(F)F)NC1CCc2ccccc2C1.
What is the InChIKey of N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FGZAYYSXOKBVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-12(5-4-10-16(17,18)19)20-15-9-8-13-6-2-3-7-14(13)11-15/h2-3,6-7,12,15,20H,4-5,8-11H2,1H3.
What are the key properties of N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 285.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,6-trifluorohexan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 116534733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).