4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine

C10H16FN — CID 121321104

IUPAC4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)C1=CCC(N)C=C1F
InChIInChI=1S/C10H16FN/c1-10(2,3)8-5-4-7(12)6-9(8)11/h5-7H,4,12H2,1-3H3
InChIKeyNJJTVXNDWPPTGW-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.54
Rot. Bonds

About 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine

4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 121321104) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine
PubChem CID121321104
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)C1=CCC(N)C=C1F
InChIInChI=1S/C10H16FN/c1-10(2,3)8-5-4-7(12)6-9(8)11/h5-7H,4,12H2,1-3H3
InChIKeyNJJTVXNDWPPTGW-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine (CID 121321104) is 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine is CC(C)(C)C1=CCC(N)C=C1F.
What is the InChIKey of 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is NJJTVXNDWPPTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-10(2,3)8-5-4-7(12)6-9(8)11/h5-7H,4,12H2,1-3H3.
What are the key properties of 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine?
4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 121321104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).