2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol

C18H18F3N5O — CID 135371690

IUPAC2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
SMILESCCc1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(CCO)n2)c1
InChIInChI=1S/C18H18F3N5O/c1-2-12-3-8-16(15(11-12)17-23-25-26(24-17)9-10-27)22-14-6-4-13(5-7-14)18(19,20)21/h3-8,11,22,27H,2,9-10H2,1H3
InChIKeyIQYFDLFOCQTHKK-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.66
Rot. Bonds6

About 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol

2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol (PubChem CID 135371690) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
PubChem CID135371690
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
SMILESCCc1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(CCO)n2)c1
InChIInChI=1S/C18H18F3N5O/c1-2-12-3-8-16(15(11-12)17-23-25-26(24-17)9-10-27)22-14-6-4-13(5-7-14)18(19,20)21/h3-8,11,22,27H,2,9-10H2,1H3
InChIKeyIQYFDLFOCQTHKK-UHFFFAOYSA-N
XLogP3.66
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-{[3-chloro-4-(trifluoromethyl)phenyl]amino}phenyl)-2H-1,2,3,4-tetrazol-2-yl]ethan-1-ol
CID 135372750
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxan-3-ol
CID 135371571
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexanol
CID 135371580
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
2-(5-(2-((3-fluorophenyl)amino)phenyl)-2H-tetrazol-2-yl)ethanol
CID 135371774
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
CID 135371787
2-[5-[5-Chloro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372012
2-[5-[3-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372018
1-Cyclopropyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
CID 135372020

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol (CID 135371690) is 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol is CCc1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(CCO)n2)c1.
What is the InChIKey of 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is IQYFDLFOCQTHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-2-12-3-8-16(15(11-12)17-23-25-26(24-17)9-10-27)22-14-6-4-13(5-7-14)18(19,20)21/h3-8,11,22,27H,2,9-10H2,1H3.
What are the key properties of 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 377.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 135371690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).