1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium

C16H23ClF3N2V- — CID 167488419

IUPAC1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium
SMILESCCc1cc(Cl)cc(C(F)(F)F)c1.CN(C)C1CCC[N-]C1.[V]
InChIInChI=1S/C9H8ClF3.C7H15N2.V/c1-2-6-3-7(9(11,12)13)5-8(10)4-6;1-9(2)7-4-3-5-8-6-7;/h3-5H,2H2,1H3;7H,3-6H2,1-2H3;/q;-1;
InChIKeyIWILACWLUOTITR-UHFFFAOYSA-N
MW386.77 g/mol
LogP5.00
Rot. Bonds2

About 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium

1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium (PubChem CID 167488419) has the molecular formula C16H23ClF3N2V- and a molecular weight of 386.77 g/mol. Its IUPAC name is 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium.

Molecular Properties

Compound Name1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium
PubChem CID167488419
Molecular FormulaC16H23ClF3N2V-
Molecular Weight386.77 g/mol
Exact Mass386.09
IUPAC Name1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium
SMILESCCc1cc(Cl)cc(C(F)(F)F)c1.CN(C)C1CCC[N-]C1.[V]
InChIInChI=1S/C9H8ClF3.C7H15N2.V/c1-2-6-3-7(9(11,12)13)5-8(10)4-6;1-9(2)7-4-3-5-8-6-7;/h3-5H,2H2,1H3;7H,3-6H2,1-2H3;/q;-1;
InChIKeyIWILACWLUOTITR-UHFFFAOYSA-N
XLogP5.00
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.77
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium?
The IUPAC name of 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium (CID 167488419) is 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium.
What is the SMILES notation for 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium?
The canonical SMILES for 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium is CCc1cc(Cl)cc(C(F)(F)F)c1.CN(C)C1CCC[N-]C1.[V].
What is the InChIKey of 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium?
The InChIKey is IWILACWLUOTITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3.C7H15N2.V/c1-2-6-3-7(9(11,12)13)5-8(10)4-6;1-9(2)7-4-3-5-8-6-7;/h3-5H,2H2,1H3;7H,3-6H2,1-2H3;/q;-1;.
What are the key properties of 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium?
1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium has a molecular weight of 386.77 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium is sourced from PubChem (CID 167488419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).