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

C19H19F3N4O — CID 158381907

IUPAC1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol
SMILESCCC(O)Cn1nnc(-c2ccccc2Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H19F3N4O/c1-2-16(27)12-26-24-18(23-25-26)17-6-4-3-5-14(17)11-13-7-9-15(10-8-13)19(20,21)22/h3-10,16,27H,2,11-12H2,1H3
InChIKeyWMKPCKOLEZBTQS-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.72
Rot. Bonds6

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

1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol (PubChem CID 158381907) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol
PubChem CID158381907
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol
SMILESCCC(O)Cn1nnc(-c2ccccc2Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H19F3N4O/c1-2-16(27)12-26-24-18(23-25-26)17-6-4-3-5-14(17)11-13-7-9-15(10-8-13)19(20,21)22/h3-10,16,27H,2,11-12H2,1H3
InChIKeyWMKPCKOLEZBTQS-UHFFFAOYSA-N
XLogP3.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 146734891
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]thietan-3-ol
CID 159174513
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine
CID 161232525
4-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]piperidin-4-ol
CID 158071686
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 157096103
1-methylsulfonyl-3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 157096104
[1-methylsulfonyl-3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]azetidin-3-yl] methanesulfonate
CID 158194272
N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine
CID 158604721
5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 157133438
2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 110908038
5-[5-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2-methyltetrazole
CID 167681317
4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane;2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazole;5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 159846628

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol?
The IUPAC name of 1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol (CID 158381907) is 1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol.
What is the SMILES notation for 1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol?
The canonical SMILES for 1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol is CCC(O)Cn1nnc(-c2ccccc2Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol?
The InChIKey is WMKPCKOLEZBTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-2-16(27)12-26-24-18(23-25-26)17-6-4-3-5-14(17)11-13-7-9-15(10-8-13)19(20,21)22/h3-10,16,27H,2,11-12H2,1H3.
What are the key properties of 1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol?
1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol has a molecular weight of 376.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol is sourced from PubChem (CID 158381907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).