2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol

C10H8F3N3O — CID 139485159

IUPAC2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1ncn(CC(F)(F)F)n1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)5-16-6-14-9(15-16)7-3-1-2-4-8(7)17/h1-4,6,17H,5H2
InChIKeyDTDCXZUXSIWSKX-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.21
Rot. Bonds2

About 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol

2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol (PubChem CID 139485159) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol
PubChem CID139485159
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1ncn(CC(F)(F)F)n1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)5-16-6-14-9(15-16)7-3-1-2-4-8(7)17/h1-4,6,17H,5H2
InChIKeyDTDCXZUXSIWSKX-UHFFFAOYSA-N
XLogP2.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
CID 2312645
2-(4H-1,2,4-triazol-3-yl)phenol
CID 136008534
4-(4H-1,2,4-triazol-3-yl)phenol
CID 135636849
5-(2-hydroxyphenyl)-N,N,3-trimethyl-1H-1,2,4-triazole-1-sulfonamide
CID 940797
2-{1-[2-(diethylamino)ethyl]-3-methyl-1H-1,2,4-triazol-5-yl}phenol
CID 1251433
3-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 25093383
4-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899490
3-(4H-1,2,4-triazol-3-yl)phenol
CID 53626269
2-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 135649820
4-(1-methyl-1H-1,2,4-triazol-3-yl)phenol
CID 136270902
4-(1-methyl-1H-1,2,4-triazol-5-yl)phenol
CID 136316379
2-{4-methyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-2-ium-3-yl}phenolate
CID 135495588

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol (CID 139485159) is 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1ncn(CC(F)(F)F)n1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol?
The InChIKey is DTDCXZUXSIWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)5-16-6-14-9(15-16)7-3-1-2-4-8(7)17/h1-4,6,17H,5H2.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol?
2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol has a molecular weight of 243.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 139485159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).