[4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol

C10H16F3N3O2 — CID 103213632

IUPAC[4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1CCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-7(2)16-8(14-15-9(16)5-17)3-4-18-6-10(11,12)13/h7,17H,3-6H2,1-2H3
InChIKeyNWGOQVADFGQWFA-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.47
Rot. Bonds6

About [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol

[4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 103213632) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
PubChem CID103213632
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name[4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1CCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-7(2)16-8(14-15-9(16)5-17)3-4-18-6-10(11,12)13/h7,17H,3-6H2,1-2H3
InChIKeyNWGOQVADFGQWFA-UHFFFAOYSA-N
XLogP1.47
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 72886104
2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 72895454
[5-(Difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395995
[5-Ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 126712835
2-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
CID 60302244
3-Chloro-5-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 63827795
[2-[3-(2,2,2-Trifluoroethoxy)propyl]-1,2,4-triazol-3-yl]methanol
CID 65650647
(2S)-1-[5-(difluoromethyl)-3-propyl-1,2,4-triazol-1-yl]-3-propan-2-yloxypropan-2-ol
CID 100760650
(2R)-1-[5-(difluoromethyl)-3-propyl-1,2,4-triazol-1-yl]-3-propan-2-yloxypropan-2-ol
CID 100760655
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103213629
[4-(2-Methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213630
[4-(2-Methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
CID 103213631

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol (CID 103213632) is [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol is CC(C)n1c(CO)nnc1CCOCC(F)(F)F.
What is the InChIKey of [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is NWGOQVADFGQWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-7(2)16-8(14-15-9(16)5-17)3-4-18-6-10(11,12)13/h7,17H,3-6H2,1-2H3.
What are the key properties of [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
[4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 267.25 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103213632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).