1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

C13H12ClF3N2O2 — CID 12878473

IUPAC1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESOC(CCl)COc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C13H12ClF3N2O2/c14-5-9(20)7-21-10-3-1-2-8(4-10)12-18-6-11(19-12)13(15,16)17/h1-4,6,9,20H,5,7H2,(H,18,19)
InChIKeyPIJDBSOAKSANAK-UHFFFAOYSA-N
MW320.70 g/mol
LogP3.07
Rot. Bonds5

About 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (PubChem CID 12878473) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
PubChem CID12878473
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC Name1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESOC(CCl)COc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C13H12ClF3N2O2/c14-5-9(20)7-21-10-3-1-2-8(4-10)12-18-6-11(19-12)13(15,16)17/h1-4,6,9,20H,5,7H2,(H,18,19)
InChIKeyPIJDBSOAKSANAK-UHFFFAOYSA-N
XLogP3.07
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 22759806
1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878476
2-[4-(chloromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 170707449
1-(tert-butylamino)-3-[2-chloro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12521616
(2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol
CID 125140266
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
(2S)-1-(3-bromo-4-phenylphenoxy)-3-chloropropan-2-ol
CID 125487688
3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
CID 63901721
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-chloropropan-2-ol;2,2,2-trifluoroacetic acid
CID 69209619
3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
CID 178075305
methyl 2-[3-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
CID 107105199
1-(3-methylphenoxy)butan-2-ol
CID 13089920

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (CID 12878473) is 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is OC(CCl)COc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1.
What is the InChIKey of 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The InChIKey is PIJDBSOAKSANAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c14-5-9(20)7-21-10-3-1-2-8(4-10)12-18-6-11(19-12)13(15,16)17/h1-4,6,9,20H,5,7H2,(H,18,19).
What are the key properties of 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol has a molecular weight of 320.70 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 12878473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).