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

C11H17F2N3O — CID 114226801

IUPAC[5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1C1CCC(F)(F)C1
InChIInChI=1S/C11H17F2N3O/c1-7(2)16-9(6-17)14-15-10(16)8-3-4-11(12,13)5-8/h7-8,17H,3-6H2,1-2H3
InChIKeyCVFFGSUGRTZTAF-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.25
Rot. Bonds3

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

[5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 114226801) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is [5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID114226801
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1C1CCC(F)(F)C1
InChIInChI=1S/C11H17F2N3O/c1-7(2)16-9(6-17)14-15-10(16)8-3-4-11(12,13)5-8/h7-8,17H,3-6H2,1-2H3
InChIKeyCVFFGSUGRTZTAF-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 114226801) is [5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is CC(C)n1c(CO)nnc1C1CCC(F)(F)C1.
What is the InChIKey of [5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is CVFFGSUGRTZTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-7(2)16-9(6-17)14-15-10(16)8-3-4-11(12,13)5-8/h7-8,17H,3-6H2,1-2H3.
What are the key properties of [5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 245.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 114226801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).