bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone

C23H18F2N6O — CID 70387165

IUPACbis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone
SMILESO=C(c1ccc(F)cc1C1(n2cncn2)CC1)c1ccc(F)cc1C1(n2cncn2)CC1
InChIInChI=1S/C23H18F2N6O/c24-15-1-3-17(19(9-15)22(5-6-22)30-13-26-11-28-30)21(32)18-4-2-16(25)10-20(18)23(7-8-23)31-14-27-12-29-31/h1-4,9-14H,5-8H2
InChIKeyRLTVGBGFPVKAJI-UHFFFAOYSA-N
MW432.43 g/mol
LogP3.45
Rot. Bonds6

About bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone

bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone (PubChem CID 70387165) has the molecular formula C23H18F2N6O and a molecular weight of 432.43 g/mol. Its IUPAC name is bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone.

Molecular Properties

Compound Namebis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone
PubChem CID70387165
Molecular FormulaC23H18F2N6O
Molecular Weight432.43 g/mol
Exact Mass432.15
IUPAC Namebis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone
SMILESO=C(c1ccc(F)cc1C1(n2cncn2)CC1)c1ccc(F)cc1C1(n2cncn2)CC1
InChIInChI=1S/C23H18F2N6O/c24-15-1-3-17(19(9-15)22(5-6-22)30-13-26-11-28-30)21(32)18-4-2-16(25)10-20(18)23(7-8-23)31-14-27-12-29-31/h1-4,9-14H,5-8H2
InChIKeyRLTVGBGFPVKAJI-UHFFFAOYSA-N
XLogP3.45
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone
CID 139082217
5-fluoro-2-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 63292739
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
[1-(1,2,4-triazol-1-yl)cyclopropyl]-[4-(trifluoromethyl)phenyl]methanone
CID 22369153
(2,4-difluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145840
3-(1,2,4-triazol-1-yl)thiolane-3-carboxylic acid
CID 82235107
1-(2,4-difluorophenyl)-3-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 90719233
2,4-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 8820407
1-cyclopropyl-3-[4-fluoro-2-[2-(1,2,4-triazol-1-yl)ethyl]phenyl]propane-1,3-dione
CID 67702038
(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone
CID 103447921
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31438784
5-fluoro-2-(1,2,4-triazol-1-yl)benzenecarbothioamide
CID 63674093

Frequently Asked Questions

What is the IUPAC name of bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone?
The IUPAC name of bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone (CID 70387165) is bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone.
What is the SMILES notation for bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone?
The canonical SMILES for bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone is O=C(c1ccc(F)cc1C1(n2cncn2)CC1)c1ccc(F)cc1C1(n2cncn2)CC1.
What is the InChIKey of bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone?
The InChIKey is RLTVGBGFPVKAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O/c24-15-1-3-17(19(9-15)22(5-6-22)30-13-26-11-28-30)21(32)18-4-2-16(25)10-20(18)23(7-8-23)31-14-27-12-29-31/h1-4,9-14H,5-8H2.
What are the key properties of bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone?
bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone has a molecular weight of 432.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone is sourced from PubChem (CID 70387165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).