4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine

C10H11F6NO — CID 18178018

IUPAC4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC(OC(F)(F)C(F)C(F)(F)F)=CC1
InChIInChI=1S/C10H11F6NO/c1-8(17)4-2-6(3-5-8)18-10(15,16)7(11)9(12,13)14/h2-4,7H,5,17H2,1H3
InChIKeyMJEAIYARIAOHHC-UHFFFAOYSA-N
MW275.19 g/mol
LogP3.06
Rot. Bonds3

About 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine

4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine (PubChem CID 18178018) has the molecular formula C10H11F6NO and a molecular weight of 275.19 g/mol. Its IUPAC name is 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine
PubChem CID18178018
Molecular FormulaC10H11F6NO
Molecular Weight275.19 g/mol
Exact Mass275.07
IUPAC Name4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC(OC(F)(F)C(F)C(F)(F)F)=CC1
InChIInChI=1S/C10H11F6NO/c1-8(17)4-2-6(3-5-8)18-10(15,16)7(11)9(12,13)14/h2-4,7H,5,17H2,1H3
InChIKeyMJEAIYARIAOHHC-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine (CID 18178018) is 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine is CC1(N)C=CC(OC(F)(F)C(F)C(F)(F)F)=CC1.
What is the InChIKey of 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is MJEAIYARIAOHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6NO/c1-8(17)4-2-6(3-5-8)18-10(15,16)7(11)9(12,13)14/h2-4,7H,5,17H2,1H3.
What are the key properties of 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine?
4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 275.19 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 18178018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).