(2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol

C11H12F3NO — CID 162417830

IUPAC(2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol
SMILESC=C[C@H](c1ccc(C(F)(F)F)nc1)[C@@H](C)O
InChIInChI=1S/C11H12F3NO/c1-3-9(7(2)16)8-4-5-10(15-6-8)11(12,13)14/h3-7,9,16H,1H2,2H3/t7-,9+/m1/s1
InChIKeyCKYUJVCKXKUIHX-APPZFPTMSA-N
MW231.22 g/mol
LogP2.75
Rot. Bonds3

About (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol

(2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol (PubChem CID 162417830) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol
PubChem CID162417830
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol
SMILESC=C[C@H](c1ccc(C(F)(F)F)nc1)[C@@H](C)O
InChIInChI=1S/C11H12F3NO/c1-3-9(7(2)16)8-4-5-10(15-6-8)11(12,13)14/h3-7,9,16H,1H2,2H3/t7-,9+/m1/s1
InChIKeyCKYUJVCKXKUIHX-APPZFPTMSA-N
XLogP2.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Hydroxyethyl)pyridine
CID 7675
3-Pyridinepropanol
CID 17861
Pyripropanol
CID 72922
5-Ethyl-2-pyridineethanol
CID 78894
3-Pyridineethanol
CID 80515
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
alpha-Phenyl-4-pyridinemethanol
CID 98305
Doxylamine alcohol
CID 86883
Phenyl(pyridin-2-yl)methanol
CID 315585
2-(3-Methylpyridin-2-yl)ethan-1-ol
CID 14546493
Venoterpine
CID 5315179
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol?
The IUPAC name of (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol (CID 162417830) is (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol.
What is the SMILES notation for (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol?
The canonical SMILES for (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol is C=C[C@H](c1ccc(C(F)(F)F)nc1)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol?
The InChIKey is CKYUJVCKXKUIHX-APPZFPTMSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-3-9(7(2)16)8-4-5-10(15-6-8)11(12,13)14/h3-7,9,16H,1H2,2H3/t7-,9+/m1/s1.
What are the key properties of (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol?
(2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol has a molecular weight of 231.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol is sourced from PubChem (CID 162417830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).