2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol

C15H11F3N2O2 — CID 167492850

IUPAC2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol
SMILESNC1=CCN=C(c2ccc(C(F)(F)F)cc2O)c2occc21
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)8-1-2-10(12(21)7-8)13-14-9(4-6-22-14)11(19)3-5-20-13/h1-4,6-7,21H,5,19H2
InChIKeyJOTDKOLIVNNQGI-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.15
Rot. Bonds1

About 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol

2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol (PubChem CID 167492850) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol
PubChem CID167492850
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol
SMILESNC1=CCN=C(c2ccc(C(F)(F)F)cc2O)c2occc21
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)8-1-2-10(12(21)7-8)13-14-9(4-6-22-14)11(19)3-5-20-13/h1-4,6-7,21H,5,19H2
InChIKeyJOTDKOLIVNNQGI-UHFFFAOYSA-N
XLogP3.15
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol
CID 167493121
2-(5-amino-8,8-dimethyl-6,7-dihydro-3H-cyclopenta[c]azepin-1-yl)-5-(trifluoromethyl)phenol;1-methylpiperidine
CID 167492537
ethane;5-[2-methyl-4-(trifluoromethyl)phenyl]-7H-pyrido[4,3-c]azepin-9-amine
CID 167492727
1-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-3H-2-benzazepin-5-amine
CID 167493028
5-[2-[(Z)-1-methyliminobut-2-en-2-yl]-4-(trifluoromethyl)phenyl]-7H-pyrido[4,3-c]azepin-9-amine
CID 167492676
2-(5-amino-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-yl)-5-chlorophenol
CID 167493289
2-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl)-5-(trifluoromethyl)phenol
CID 167138135
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
2-[9-(2-butyl-4-methylhexyl)-7H-pyrido[4,3-c]azepin-5-yl]-5-(trifluoromethyl)phenol
CID 167492954
ethane;5-[2-(1-fluoroethyl)-4-(trifluoromethyl)phenyl]-7H-pyrido[4,3-c]azepin-9-amine;2-methyloctane
CID 167492858
2-[(1-aminocyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 117333690

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol (CID 167492850) is 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol is NC1=CCN=C(c2ccc(C(F)(F)F)cc2O)c2occc21.
What is the InChIKey of 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol?
The InChIKey is JOTDKOLIVNNQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)8-1-2-10(12(21)7-8)13-14-9(4-6-22-14)11(19)3-5-20-13/h1-4,6-7,21H,5,19H2.
What are the key properties of 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol?
2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol has a molecular weight of 308.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 167492850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).