N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C15H18F3NO2 — CID 103857359

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(c1ccc2c(c1)CCCC2)N(CCO)CC(F)(F)F
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)10-19(7-8-20)14(21)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9,20H,1-4,7-8,10H2
InChIKeyFAWSPHSOABUAOM-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.56
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 103857359) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID103857359
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(c1ccc2c(c1)CCCC2)N(CCO)CC(F)(F)F
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)10-19(7-8-20)14(21)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9,20H,1-4,7-8,10H2
InChIKeyFAWSPHSOABUAOM-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103857357
2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78989699
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-benzodioxole-5-carboxamide
CID 103857432
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
4-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107479787
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592
N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103857335
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 103857285
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 103857359) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(c1ccc2c(c1)CCCC2)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is FAWSPHSOABUAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)10-19(7-8-20)14(21)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9,20H,1-4,7-8,10H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 103857359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).