dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol

C13H14F3NO — CID 112743417

IUPACdicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)(C1CC1)C1CC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)10-5-6-17-7-11(10)12(18,8-1-2-8)9-3-4-9/h5-9,18H,1-4H2
InChIKeyKYNHIXKWOJOJBD-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.11
Rot. Bonds3

About dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol

dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 112743417) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Namedicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID112743417
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Namedicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)(C1CC1)C1CC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)10-5-6-17-7-11(10)12(18,8-1-2-8)9-3-4-9/h5-9,18H,1-4H2
InChIKeyKYNHIXKWOJOJBD-UHFFFAOYSA-N
XLogP3.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(trifluoromethyl)pyridin-3-ol
CID 25210497
1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104737502
4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707349
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 103168174
3-hydroxy-3-[4-(trifluoromethyl)-3-pyridinyl]butanal
CID 102707382
3,3-difluoro-3-[4-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738026
2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707451
3-(2-chlorocycloheptyl)-4-(trifluoromethyl)pyridine
CID 102708804
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol
CID 102707477
1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707464

Frequently Asked Questions

What is the IUPAC name of dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 112743417) is dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1cnccc1C(F)(F)F)(C1CC1)C1CC1.
What is the InChIKey of dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is KYNHIXKWOJOJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)10-5-6-17-7-11(10)12(18,8-1-2-8)9-3-4-9/h5-9,18H,1-4H2.
What are the key properties of dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 257.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 112743417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).