1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol

C14H12F3NO — CID 83125413

IUPAC1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1cc(F)ccc1F)c1ccc(F)cn1
InChIInChI=1S/C14H12F3NO/c1-14(19,13-5-3-11(16)8-18-13)7-9-6-10(15)2-4-12(9)17/h2-6,8,19H,7H2,1H3
InChIKeyXFVLDNILDYWGIE-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.95
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol

1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol (PubChem CID 83125413) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
PubChem CID83125413
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1cc(F)ccc1F)c1ccc(F)cn1
InChIInChI=1S/C14H12F3NO/c1-14(19,13-5-3-11(16)8-18-13)7-9-6-10(15)2-4-12(9)17/h2-6,8,19H,7H2,1H3
InChIKeyXFVLDNILDYWGIE-UHFFFAOYSA-N
XLogP2.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83124840
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(2,3-dichlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 107307629
1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125074
1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220635
1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125408
2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol
CID 112642112
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
CID 63407094
1-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 114347015
1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
CID 83125669

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol (CID 83125413) is 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol is CC(O)(Cc1cc(F)ccc1F)c1ccc(F)cn1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The InChIKey is XFVLDNILDYWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-14(19,13-5-3-11(16)8-18-13)7-9-6-10(15)2-4-12(9)17/h2-6,8,19H,7H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol has a molecular weight of 267.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 83125413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).