1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol

C9H10F3NO — CID 83957743

IUPAC1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol
SMILESCCC(O)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-2-8(14,9(10,11)12)7-5-3-4-6-13-7/h3-6,14H,2H2,1H3
InChIKeyMRVJRAIGCKDGFO-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.24
Rot. Bonds2

About 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol

1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol (PubChem CID 83957743) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol
PubChem CID83957743
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol
SMILESCCC(O)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-2-8(14,9(10,11)12)7-5-3-4-6-13-7/h3-6,14H,2H2,1H3
InChIKeyMRVJRAIGCKDGFO-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol (CID 83957743) is 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol is CCC(O)(c1ccccn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol?
The InChIKey is MRVJRAIGCKDGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-8(14,9(10,11)12)7-5-3-4-6-13-7/h3-6,14H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol?
1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol has a molecular weight of 205.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 83957743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).