N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline

C16H11F4N5O — CID 5369007

IUPACN-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline
SMILESFc1ccc(-n2nnnc2/C=C\Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H11F4N5O/c17-11-1-5-13(6-2-11)25-15(22-23-24-25)9-10-21-12-3-7-14(8-4-12)26-16(18,19)20/h1-10,21H/b10-9-
InChIKeyADBYTZKXQVMBKN-KTKRTIGZSA-N
MW365.29 g/mol
LogP3.78
Rot. Bonds5

About N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline

N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline (PubChem CID 5369007) has the molecular formula C16H11F4N5O and a molecular weight of 365.29 g/mol. Its IUPAC name is N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline
PubChem CID5369007
Molecular FormulaC16H11F4N5O
Molecular Weight365.29 g/mol
Exact Mass365.09
IUPAC NameN-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline
SMILESFc1ccc(-n2nnnc2/C=C\Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H11F4N5O/c17-11-1-5-13(6-2-11)25-15(22-23-24-25)9-10-21-12-3-7-14(8-4-12)26-16(18,19)20/h1-10,21H/b10-9-
InChIKeyADBYTZKXQVMBKN-KTKRTIGZSA-N
XLogP3.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5378117
4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
CID 27125700
2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 625468
N-prop-1-enyl-4-(trifluoromethoxy)aniline
CID 173173563
1-[3-[[(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 6031982
1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
CID 6062005
(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
CID 5367722
5-(4-fluoro-2-nitrophenyl)sulfanyl-1-[4-(trifluoromethoxy)phenyl]tetrazole
CID 30646760
1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 20786923
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
N-(4-methoxyphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500522
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
CID 4592804

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline (CID 5369007) is N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline is Fc1ccc(-n2nnnc2/C=C\Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline?
The InChIKey is ADBYTZKXQVMBKN-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H11F4N5O/c17-11-1-5-13(6-2-11)25-15(22-23-24-25)9-10-21-12-3-7-14(8-4-12)26-16(18,19)20/h1-10,21H/b10-9-.
What are the key properties of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline?
N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline has a molecular weight of 365.29 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 5369007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).