6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine

C10H10F7N — CID 87233881

IUPAC6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(C(F)(C(F)(F)F)C(F)(F)F)C=CC=CC1N
InChIInChI=1S/C10H10F7N/c1-7(5-3-2-4-6(7)18)8(11,9(12,13)14)10(15,16)17/h2-6H,18H2,1H3
InChIKeyOPBQZQPYQXAWOZ-UHFFFAOYSA-N
MW277.18 g/mol
LogP3.28
Rot. Bonds1

About 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine

6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 87233881) has the molecular formula C10H10F7N and a molecular weight of 277.18 g/mol. Its IUPAC name is 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID87233881
Molecular FormulaC10H10F7N
Molecular Weight277.18 g/mol
Exact Mass277.07
IUPAC Name6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(C(F)(C(F)(F)F)C(F)(F)F)C=CC=CC1N
InChIInChI=1S/C10H10F7N/c1-7(5-3-2-4-6(7)18)8(11,9(12,13)14)10(15,16)17/h2-6H,18H2,1H3
InChIKeyOPBQZQPYQXAWOZ-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine (CID 87233881) is 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine is CC1(C(F)(C(F)(F)F)C(F)(F)F)C=CC=CC1N.
What is the InChIKey of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is OPBQZQPYQXAWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F7N/c1-7(5-3-2-4-6(7)18)8(11,9(12,13)14)10(15,16)17/h2-6H,18H2,1H3.
What are the key properties of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine?
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 277.18 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 87233881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).