(1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

C14H14F2N6O2 — CID 6482139

IUPAC(1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SMILESCO[C@@H](n1cncn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N6O2/c1-24-13(22-9-18-7-20-22)14(23,5-21-8-17-6-19-21)11-3-2-10(15)4-12(11)16/h2-4,6-9,13,23H,5H2,1H3/t13-,14+/m1/s1
InChIKeyWZGINLPJAJMCKQ-KGLIPLIRSA-N
MW336.30 g/mol
LogP0.88
Rot. Bonds6

About (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

(1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 6482139) has the molecular formula C14H14F2N6O2 and a molecular weight of 336.30 g/mol. Its IUPAC name is (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID6482139
Molecular FormulaC14H14F2N6O2
Molecular Weight336.30 g/mol
Exact Mass336.11
IUPAC Name(1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SMILESCO[C@@H](n1cncn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N6O2/c1-24-13(22-9-18-7-20-22)14(23,5-21-8-17-6-19-21)11-3-2-10(15)4-12(11)16/h2-4,6-9,13,23H,5H2,1H3/t13-,14+/m1/s1
InChIKeyWZGINLPJAJMCKQ-KGLIPLIRSA-N
XLogP0.88
TPSA90.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(1R,2R)-2-(2,4-dichlorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
CID 6482146
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic acid
CID 15196322
(2R,3R)-2-(2,4-difluorophenyl)-3-(methylsulfonimidoyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 25046791
[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phosphonic acid
CID 175171428
(2R,3S)-2-(2,4-difluorophenyl)-3-methyl-5-pyrimidin-5-yl-1-(1,2,4-triazol-1-yl)pent-4-yn-2-ol
CID 141466775
4-[(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butyl]benzonitrile
CID 57206594
3-(2,4-difluorophenyl)-3-hydroxy-N,2-dimethyl-4-(1,2,4-triazol-1-yl)butanamide
CID 70521324
(2R,3R)-2-(2,4-difluorophenyl)-3-(tetrazol-2-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11723569
1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078
(2R,3S)-2-(2,4-difluorophenyl)-3-phenylmethoxy-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 139974274

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol (CID 6482139) is (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol is CO[C@@H](n1cncn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is WZGINLPJAJMCKQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H14F2N6O2/c1-24-13(22-9-18-7-20-22)14(23,5-21-8-17-6-19-21)11-3-2-10(15)4-12(11)16/h2-4,6-9,13,23H,5H2,1H3/t13-,14+/m1/s1.
What are the key properties of (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
(1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 336.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 6482139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).