(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol

C10H10F3NO — CID 15261007

IUPAC(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol
SMILESC=C[C@H]([C@@H](O)c1ccccn1)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-2-7(10(11,12)13)9(15)8-5-3-4-6-14-8/h2-7,9,15H,1H2/t7-,9-/m1/s1
InChIKeyFRVCNRHZGNANNA-VXNVDRBHSA-N
MW217.19 g/mol
LogP2.48
Rot. Bonds3

About (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol

(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol (PubChem CID 15261007) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol
PubChem CID15261007
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol
SMILESC=C[C@H]([C@@H](O)c1ccccn1)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-2-7(10(11,12)13)9(15)8-5-3-4-6-14-8/h2-7,9,15H,1H2/t7-,9-/m1/s1
InChIKeyFRVCNRHZGNANNA-VXNVDRBHSA-N
XLogP2.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.48
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

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CID 51670363
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
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1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol
CID 176556814
CID 172780589
CID 172780589
(2,2,2-trifluoro-1-pyridin-2-ylethyl)azanide
CID 154488282
2-(1-bromoprop-2-enyl)pyridine
CID 70499448
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
(2S)-2-methoxy-1-pyridin-2-ylpropan-1-ol
CID 131085993
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylprop-2-enyl)prop-2-en-1-amine
CID 69092299
2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine
CID 70599998
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol?
The IUPAC name of (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol (CID 15261007) is (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol.
What is the SMILES notation for (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol?
The canonical SMILES for (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol is C=C[C@H]([C@@H](O)c1ccccn1)C(F)(F)F.
What is the InChIKey of (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol?
The InChIKey is FRVCNRHZGNANNA-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-2-7(10(11,12)13)9(15)8-5-3-4-6-14-8/h2-7,9,15H,1H2/t7-,9-/m1/s1.
What are the key properties of (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol?
(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol has a molecular weight of 217.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol is sourced from PubChem (CID 15261007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).