1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine

C12H20F3N — CID 105153569

IUPAC1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
SMILESC=CCCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c1-2-3-4-11(16)9-5-7-10(8-6-9)12(13,14)15/h2,9-11H,1,3-8,16H2
InChIKeyPZQBXMDTHXAUIS-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.65
Rot. Bonds4

About 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine

1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine (PubChem CID 105153569) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
PubChem CID105153569
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
SMILESC=CCCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c1-2-3-4-11(16)9-5-7-10(8-6-9)12(13,14)15/h2,9-11H,1,3-8,16H2
InChIKeyPZQBXMDTHXAUIS-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine (CID 105153569) is 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine is C=CCCC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
The InChIKey is PZQBXMDTHXAUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-2-3-4-11(16)9-5-7-10(8-6-9)12(13,14)15/h2,9-11H,1,3-8,16H2.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine is sourced from PubChem (CID 105153569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).