[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol

C8H11F2N3O — CID 164913783

IUPAC[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol
SMILESCn1cc(C2(CO)CC(F)(F)C2)nn1
InChIInChI=1S/C8H11F2N3O/c1-13-2-6(11-12-13)7(5-14)3-8(9,10)4-7/h2,14H,3-5H2,1H3
InChIKeyGVLHQCBDUDLRDO-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.47
Rot. Bonds2

About [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol

[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol (PubChem CID 164913783) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol
PubChem CID164913783
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol
SMILESCn1cc(C2(CO)CC(F)(F)C2)nn1
InChIInChI=1S/C8H11F2N3O/c1-13-2-6(11-12-13)7(5-14)3-8(9,10)4-7/h2,14H,3-5H2,1H3
InChIKeyGVLHQCBDUDLRDO-UHFFFAOYSA-N
XLogP0.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol?
The IUPAC name of [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol (CID 164913783) is [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol.
What is the SMILES notation for [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol?
The canonical SMILES for [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol is Cn1cc(C2(CO)CC(F)(F)C2)nn1.
What is the InChIKey of [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol?
The InChIKey is GVLHQCBDUDLRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-13-2-6(11-12-13)7(5-14)3-8(9,10)4-7/h2,14H,3-5H2,1H3.
What are the key properties of [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol?
[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol has a molecular weight of 203.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol is sourced from PubChem (CID 164913783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).