3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol

C17H16F3N5O — CID 135372120

IUPAC3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
SMILESOCCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)12-6-8-13(9-7-12)21-15-5-2-1-4-14(15)16-22-24-25(23-16)10-3-11-26/h1-2,4-9,21,26H,3,10-11H2
InChIKeyCROAGMAASTWNRQ-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.48
Rot. Bonds6

About 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol

3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol (PubChem CID 135372120) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
PubChem CID135372120
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
SMILESOCCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)12-6-8-13(9-7-12)21-15-5-2-1-4-14(15)16-22-24-25(23-16)10-3-11-26/h1-2,4-9,21,26H,3,10-11H2
InChIKeyCROAGMAASTWNRQ-UHFFFAOYSA-N
XLogP3.48
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol (CID 135372120) is 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol is OCCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
The InChIKey is CROAGMAASTWNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c18-17(19,20)12-6-8-13(9-7-12)21-15-5-2-1-4-14(15)16-22-24-25(23-16)10-3-11-26/h1-2,4-9,21,26H,3,10-11H2.
What are the key properties of 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol has a molecular weight of 363.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol is sourced from PubChem (CID 135372120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).