[2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

C13H16F3NO — CID 61044751

IUPAC[2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCc2ccccc2C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)8-17-12(9-18)6-5-10-3-1-2-4-11(10)7-12/h1-4,17-18H,5-9H2
InChIKeyJHBZFBFQOGYARP-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.06
Rot. Bonds3

About [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

[2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (PubChem CID 61044751) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
PubChem CID61044751
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name[2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCc2ccccc2C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)8-17-12(9-18)6-5-10-3-1-2-4-11(10)7-12/h1-4,17-18H,5-9H2
InChIKeyJHBZFBFQOGYARP-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The IUPAC name of [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (CID 61044751) is [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.
What is the SMILES notation for [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The canonical SMILES for [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is OCC1(NCC(F)(F)F)CCc2ccccc2C1.
What is the InChIKey of [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The InChIKey is JHBZFBFQOGYARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)8-17-12(9-18)6-5-10-3-1-2-4-11(10)7-12/h1-4,17-18H,5-9H2.
What are the key properties of [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
[2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol has a molecular weight of 259.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is sourced from PubChem (CID 61044751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).