2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine

C10H15F2N — CID 173055835

IUPAC2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
SMILESCC1C=CC(N(C)C)=C(C(F)F)C1
InChIInChI=1S/C10H15F2N/c1-7-4-5-9(13(2)3)8(6-7)10(11)12/h4-5,7,10H,6H2,1-3H3
InChIKeyRJZZOLUEPHTFNT-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.66
Rot. Bonds2

About 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine

2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine (PubChem CID 173055835) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
PubChem CID173055835
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
SMILESCC1C=CC(N(C)C)=C(C(F)F)C1
InChIInChI=1S/C10H15F2N/c1-7-4-5-9(13(2)3)8(6-7)10(11)12/h4-5,7,10H,6H2,1-3H3
InChIKeyRJZZOLUEPHTFNT-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 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine (CID 173055835) is 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine is CC1C=CC(N(C)C)=C(C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is RJZZOLUEPHTFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-7-4-5-9(13(2)3)8(6-7)10(11)12/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine?
2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-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 2-(difluoromethyl)-N,N,4-trimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 173055835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).