4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine

C10H16FN — CID 166882934

IUPAC4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine
SMILESCC1(CCCF)C=CC(N)=CC1
InChIInChI=1S/C10H16FN/c1-10(5-2-8-11)6-3-9(12)4-7-10/h3-4,6H,2,5,7-8,12H2,1H3
InChIKeyGRNVKAXKYHFGRS-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.54
Rot. Bonds3

About 4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine

4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine (PubChem CID 166882934) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine
PubChem CID166882934
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine
SMILESCC1(CCCF)C=CC(N)=CC1
InChIInChI=1S/C10H16FN/c1-10(5-2-8-11)6-3-9(12)4-7-10/h3-4,6H,2,5,7-8,12H2,1H3
InChIKeyGRNVKAXKYHFGRS-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine (CID 166882934) is 4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine is CC1(CCCF)C=CC(N)=CC1.
What is the InChIKey of 4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is GRNVKAXKYHFGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-10(5-2-8-11)6-3-9(12)4-7-10/h3-4,6H,2,5,7-8,12H2,1H3.
What are the key properties of 4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine?
4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 166882934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).