2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol

C16H13ClF3N5O — CID 135372750

IUPAC2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)c(Cl)c2)n1
InChIInChI=1S/C16H13ClF3N5O/c17-13-9-10(5-6-12(13)16(18,19)20)21-14-4-2-1-3-11(14)15-22-24-25(23-15)7-8-26/h1-6,9,21,26H,7-8H2
InChIKeyFDZYWGYKIWJDRX-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.75
Rot. Bonds5

About 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol

2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol (PubChem CID 135372750) has the molecular formula C16H13ClF3N5O and a molecular weight of 383.76 g/mol. Its IUPAC name is 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
PubChem CID135372750
Molecular FormulaC16H13ClF3N5O
Molecular Weight383.76 g/mol
Exact Mass383.08
IUPAC Name2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)c(Cl)c2)n1
InChIInChI=1S/C16H13ClF3N5O/c17-13-9-10(5-6-12(13)16(18,19)20)21-14-4-2-1-3-11(14)15-22-24-25(23-15)7-8-26/h1-6,9,21,26H,7-8H2
InChIKeyFDZYWGYKIWJDRX-UHFFFAOYSA-N
XLogP3.75
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[5-[5-Ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135371690
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
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
2-[5-[4-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372104
3-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
CID 135372120
2-[5-[4-Methyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372176
1-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-2-ol
CID 135372198
(2S,3R)-3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]butan-2-ol
CID 135372207
2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372222

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol (CID 135372750) is 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)c(Cl)c2)n1.
What is the InChIKey of 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is FDZYWGYKIWJDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5O/c17-13-9-10(5-6-12(13)16(18,19)20)21-14-4-2-1-3-11(14)15-22-24-25(23-15)7-8-26/h1-6,9,21,26H,7-8H2.
What are the key properties of 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 383.76 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 135372750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).