butane;[6-(trifluoromethyl)-2-pyridinyl]methanol

C11H16F3NO — CID 177205838

IUPACbutane;[6-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCCCC.OCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3NO.C4H10/c8-7(9,10)6-3-1-2-5(4-12)11-6;1-3-4-2/h1-3,12H,4H2;3-4H2,1-2H3
InChIKeyRPIKIDIYBKWCPW-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.40
Rot. Bonds2

About butane;[6-(trifluoromethyl)-2-pyridinyl]methanol

butane;[6-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 177205838) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is butane;[6-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Namebutane;[6-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID177205838
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Namebutane;[6-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCCCC.OCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3NO.C4H10/c8-7(9,10)6-3-1-2-5(4-12)11-6;1-3-4-2/h1-3,12H,4H2;3-4H2,1-2H3
InChIKeyRPIKIDIYBKWCPW-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;[6-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of butane;[6-(trifluoromethyl)-2-pyridinyl]methanol (CID 177205838) is butane;[6-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for butane;[6-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for butane;[6-(trifluoromethyl)-2-pyridinyl]methanol is CCCC.OCc1cccc(C(F)(F)F)n1.
What is the InChIKey of butane;[6-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is RPIKIDIYBKWCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C4H10/c8-7(9,10)6-3-1-2-5(4-12)11-6;1-3-4-2/h1-3,12H,4H2;3-4H2,1-2H3.
What are the key properties of butane;[6-(trifluoromethyl)-2-pyridinyl]methanol?
butane;[6-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 235.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;[6-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 177205838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).