2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol

C15H14FN5O — CID 135371774

IUPAC2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2cccc(F)c2)n1
InChIInChI=1S/C15H14FN5O/c16-11-4-3-5-12(10-11)17-14-7-2-1-6-13(14)15-18-20-21(19-15)8-9-22/h1-7,10,17,22H,8-9H2
InChIKeyDTKHMZYTIGASEP-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.22
Rot. Bonds5

About 2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol

2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol (PubChem CID 135371774) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol
PubChem CID135371774
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2cccc(F)c2)n1
InChIInChI=1S/C15H14FN5O/c16-11-4-3-5-12(10-11)17-14-7-2-1-6-13(14)15-18-20-21(19-15)8-9-22/h1-7,10,17,22H,8-9H2
InChIKeyDTKHMZYTIGASEP-UHFFFAOYSA-N
XLogP2.22
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.22
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
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
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-[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
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
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372055
2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372071
2-[5-[4-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372104

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol (CID 135371774) is 2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccccc2Nc2cccc(F)c2)n1.
What is the InChIKey of 2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol?
The InChIKey is DTKHMZYTIGASEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-11-4-3-5-12(10-11)17-14-7-2-1-6-13(14)15-18-20-21(19-15)8-9-22/h1-7,10,17,22H,8-9H2.
What are the key properties of 2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol?
2-[5-[2-(3-fluoroanilino)phenyl]tetrazol-2-yl]ethanol has a molecular weight of 299.31 g/mol, XLogP of 2.22, 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-fluoroanilino)phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 135371774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).