6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine

C9H14FN — CID 68854686

IUPAC6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1(F)C=CC=CC1N
InChIInChI=1S/C9H14FN/c1-7(2)9(10)6-4-3-5-8(9)11/h3-8H,11H2,1-2H3
InChIKeyIWXWHIREXZKFSU-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.80
Rot. Bonds1

About 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine

6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 68854686) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID68854686
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1(F)C=CC=CC1N
InChIInChI=1S/C9H14FN/c1-7(2)9(10)6-4-3-5-8(9)11/h3-8H,11H2,1-2H3
InChIKeyIWXWHIREXZKFSU-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 68854686) is 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine is CC(C)C1(F)C=CC=CC1N.
What is the InChIKey of 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is IWXWHIREXZKFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(2)9(10)6-4-3-5-8(9)11/h3-8H,11H2,1-2H3.
What are the key properties of 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine?
6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 155.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 68854686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).