1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol

C21H22F3N5O — CID 135371580

IUPAC1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol
SMILESOC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCCCC1
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)15-8-10-16(11-9-15)25-18-7-3-2-6-17(18)19-26-28-29(27-19)14-20(30)12-4-1-5-13-20/h2-3,6-11,25,30H,1,4-5,12-14H2
InChIKeySVLIPFCRTOHSLX-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.80
Rot. Bonds5

About 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol

1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol (PubChem CID 135371580) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol
PubChem CID135371580
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol
SMILESOC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCCCC1
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)15-8-10-16(11-9-15)25-18-7-3-2-6-17(18)19-26-28-29(27-19)14-20(30)12-4-1-5-13-20/h2-3,6-11,25,30H,1,4-5,12-14H2
InChIKeySVLIPFCRTOHSLX-UHFFFAOYSA-N
XLogP4.80
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

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
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
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
CID 135371787
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
1-Phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol
CID 135372050
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol
CID 135372054
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372055

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol (CID 135371580) is 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol is OC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCCCC1.
What is the InChIKey of 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol?
The InChIKey is SVLIPFCRTOHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c22-21(23,24)15-8-10-16(11-9-15)25-18-7-3-2-6-17(18)19-26-28-29(27-19)14-20(30)12-4-1-5-13-20/h2-3,6-11,25,30H,1,4-5,12-14H2.
What are the key properties of 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol?
1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol has a molecular weight of 417.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 135371580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).