4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine

C9H14FN — CID 139320224

IUPAC4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCC(C)C1C=C(N)C=CC1F
InChIInChI=1S/C9H14FN/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6,8-9H,11H2,1-2H3
InChIKeySCEJMUATHVBLSP-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.01
Rot. Bonds1

About 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine

4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 139320224) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID139320224
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCC(C)C1C=C(N)C=CC1F
InChIInChI=1S/C9H14FN/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6,8-9H,11H2,1-2H3
InChIKeySCEJMUATHVBLSP-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 139320224) is 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine is CC(C)C1C=C(N)C=CC1F.
What is the InChIKey of 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is SCEJMUATHVBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6,8-9H,11H2,1-2H3.
What are the key properties of 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine?
4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 155.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 139320224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).