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

C12H20FN — CID 89069746

IUPAC4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine
SMILESCCCC1C=C(N)C=CC1CCCF
InChIInChI=1S/C12H20FN/c1-2-4-11-9-12(14)7-6-10(11)5-3-8-13/h6-7,9-11H,2-5,8,14H2,1H3
InChIKeyVQKHOOJWHVZDAG-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.18
Rot. Bonds5

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

4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine (PubChem CID 89069746) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine
PubChem CID89069746
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine
SMILESCCCC1C=C(N)C=CC1CCCF
InChIInChI=1S/C12H20FN/c1-2-4-11-9-12(14)7-6-10(11)5-3-8-13/h6-7,9-11H,2-5,8,14H2,1H3
InChIKeyVQKHOOJWHVZDAG-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine (CID 89069746) is 4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine is CCCC1C=C(N)C=CC1CCCF.
What is the InChIKey of 4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine?
The InChIKey is VQKHOOJWHVZDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-2-4-11-9-12(14)7-6-10(11)5-3-8-13/h6-7,9-11H,2-5,8,14H2,1H3.
What are the key properties of 4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine?
4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-3-propylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89069746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).