cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen

C22H36FN3 — CID 144663340

IUPACcyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen
SMILESC1CCCCC1.CC1(C)CCC1.CCc1cn(-c2cccc(F)c2)nn1.[H][H]
InChIInChI=1S/C10H10FN3.2C6H12.H2/c1-2-9-7-14(13-12-9)10-5-3-4-8(11)6-10;1-6(2)4-3-5-6;1-2-4-6-5-3-1;/h3-7H,2H2,1H3;3-5H2,1-2H3;1-6H2;1H
InChIKeyDUYSHZNULINEAH-UHFFFAOYSA-N
MW361.55 g/mol
LogP6.75
Rot. Bonds2

About cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen

cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen (PubChem CID 144663340) has the molecular formula C22H36FN3 and a molecular weight of 361.55 g/mol. Its IUPAC name is cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen.

Molecular Properties

Compound Namecyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen
PubChem CID144663340
Molecular FormulaC22H36FN3
Molecular Weight361.55 g/mol
Exact Mass361.29
IUPAC Namecyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen
SMILESC1CCCCC1.CC1(C)CCC1.CCc1cn(-c2cccc(F)c2)nn1.[H][H]
InChIInChI=1S/C10H10FN3.2C6H12.H2/c1-2-9-7-14(13-12-9)10-5-3-4-8(11)6-10;1-6(2)4-3-5-6;1-2-4-6-5-3-1;/h3-7H,2H2,1H3;3-5H2,1-2H3;1-6H2;1H
InChIKeyDUYSHZNULINEAH-UHFFFAOYSA-N
XLogP6.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.55
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(3-fluorophenyl)triazole
CID 144663333
N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205643
7-[[1-(3-fluorophenyl)triazol-4-yl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166604514
1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol
CID 146108350
O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine
CID 117167593
1-[[1-(3-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167600
4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole
CID 168527298
5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole
CID 66020792
N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide
CID 141437589
2-[4-(4-ethyltriazol-1-yl)-2-fluorophenyl]isoindole-1,3-dione
CID 168518560
N-[(2R)-butan-2-yl]-1-(3-fluorophenyl)triazole-4-carboxamide
CID 95086934
1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
CID 155276348

Frequently Asked Questions

What is the IUPAC name of cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen?
The IUPAC name of cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen (CID 144663340) is cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen.
What is the SMILES notation for cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen?
The canonical SMILES for cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen is C1CCCCC1.CC1(C)CCC1.CCc1cn(-c2cccc(F)c2)nn1.[H][H].
What is the InChIKey of cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen?
The InChIKey is DUYSHZNULINEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3.2C6H12.H2/c1-2-9-7-14(13-12-9)10-5-3-4-8(11)6-10;1-6(2)4-3-5-6;1-2-4-6-5-3-1;/h3-7H,2H2,1H3;3-5H2,1-2H3;1-6H2;1H.
What are the key properties of cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen?
cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen has a molecular weight of 361.55 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen is sourced from PubChem (CID 144663340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).