6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine

C10H15F2N — CID 143349263

IUPAC6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCCC1C=C(F)C=C(F)C1N(C)C
InChIInChI=1S/C10H15F2N/c1-4-7-5-8(11)6-9(12)10(7)13(2)3/h5-7,10H,4H2,1-3H3
InChIKeyVTPLVMDDHCYTGH-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.66
Rot. Bonds2

About 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine

6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 143349263) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID143349263
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCCC1C=C(F)C=C(F)C1N(C)C
InChIInChI=1S/C10H15F2N/c1-4-7-5-8(11)6-9(12)10(7)13(2)3/h5-7,10H,4H2,1-3H3
InChIKeyVTPLVMDDHCYTGH-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine (CID 143349263) is 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine is CCC1C=C(F)C=C(F)C1N(C)C.
What is the InChIKey of 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is VTPLVMDDHCYTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-4-7-5-8(11)6-9(12)10(7)13(2)3/h5-7,10H,4H2,1-3H3.
What are the key properties of 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine?
6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 187.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143349263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).