2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine

C10H15F2N — CID 130223402

IUPAC2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(F)C(NC(C)C)=C(F)C1
InChIInChI=1S/C10H15F2N/c1-6(2)13-10-8(11)4-7(3)5-9(10)12/h4,6-7,13H,5H2,1-3H3
InChIKeyNXRXVYNMIAMPCF-UHFFFAOYSA-N
MW187.23 g/mol
LogP3.06
Rot. Bonds2

About 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine

2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 130223402) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID130223402
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(F)C(NC(C)C)=C(F)C1
InChIInChI=1S/C10H15F2N/c1-6(2)13-10-8(11)4-7(3)5-9(10)12/h4,6-7,13H,5H2,1-3H3
InChIKeyNXRXVYNMIAMPCF-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 130223402) is 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine is CC1C=C(F)C(NC(C)C)=C(F)C1.
What is the InChIKey of 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is NXRXVYNMIAMPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-6(2)13-10-8(11)4-7(3)5-9(10)12/h4,6-7,13H,5H2,1-3H3.
What are the key properties of 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 187.23 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 130223402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).