1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol

C16H16F3NO — CID 59729443

IUPAC1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol
SMILESCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C16H16F3NO/c1-2-3-15(21)12-6-9-14(20-10-12)11-4-7-13(8-5-11)16(17,18)19/h4-10,15,21H,2-3H2,1H3
InChIKeyXHOZFXHDUBJEIV-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.60
Rot. Bonds4

About 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol

1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol (PubChem CID 59729443) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol
PubChem CID59729443
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol
SMILESCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C16H16F3NO/c1-2-3-15(21)12-6-9-14(20-10-12)11-4-7-13(8-5-11)16(17,18)19/h4-10,15,21H,2-3H2,1H3
InChIKeyXHOZFXHDUBJEIV-UHFFFAOYSA-N
XLogP4.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol?
The IUPAC name of 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol (CID 59729443) is 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol.
What is the SMILES notation for 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol?
The canonical SMILES for 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol is CCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol?
The InChIKey is XHOZFXHDUBJEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-2-3-15(21)12-6-9-14(20-10-12)11-4-7-13(8-5-11)16(17,18)19/h4-10,15,21H,2-3H2,1H3.
What are the key properties of 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol?
1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-1-ol is sourced from PubChem (CID 59729443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).