2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol

C11H17F2N3O — CID 114225086

IUPAC2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(CC2CCC(F)(F)C2)nn1
InChIInChI=1S/C11H17F2N3O/c1-10(2,17)9-7-16(15-14-9)6-8-3-4-11(12,13)5-8/h7-8,17H,3-6H2,1-2H3
InChIKeyGYCPNQFRDBOIET-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.94
Rot. Bonds3

About 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol

2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol (PubChem CID 114225086) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol
PubChem CID114225086
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(CC2CCC(F)(F)C2)nn1
InChIInChI=1S/C11H17F2N3O/c1-10(2,17)9-7-16(15-14-9)6-8-3-4-11(12,13)5-8/h7-8,17H,3-6H2,1-2H3
InChIKeyGYCPNQFRDBOIET-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol (CID 114225086) is 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(CC2CCC(F)(F)C2)nn1.
What is the InChIKey of 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol?
The InChIKey is GYCPNQFRDBOIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-10(2,17)9-7-16(15-14-9)6-8-3-4-11(12,13)5-8/h7-8,17H,3-6H2,1-2H3.
What are the key properties of 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol?
2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol has a molecular weight of 245.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 114225086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).