(E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine

C18H34FN — CID 174165590

IUPAC(E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine
SMILESCCCCCCC(N)C/C=C/CC1CCCC(CF)C1
InChIInChI=1S/C18H34FN/c1-2-3-4-5-12-18(20)13-7-6-9-16-10-8-11-17(14-16)15-19/h6-7,16-18H,2-5,8-15,20H2,1H3/b7-6+
InChIKeyPZTBAFTXANNHTP-VOTSOKGWSA-N
MW283.48 g/mol
LogP5.40
Rot. Bonds10

About (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine

(E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine (PubChem CID 174165590) has the molecular formula C18H34FN and a molecular weight of 283.48 g/mol. Its IUPAC name is (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine.

Molecular Properties

Compound Name(E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine
PubChem CID174165590
Molecular FormulaC18H34FN
Molecular Weight283.48 g/mol
Exact Mass283.27
IUPAC Name(E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine
SMILESCCCCCCC(N)C/C=C/CC1CCCC(CF)C1
InChIInChI=1S/C18H34FN/c1-2-3-4-5-12-18(20)13-7-6-9-16-10-8-11-17(14-16)15-19/h6-7,16-18H,2-5,8-15,20H2,1H3/b7-6+
InChIKeyPZTBAFTXANNHTP-VOTSOKGWSA-N
XLogP5.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine?
The IUPAC name of (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine (CID 174165590) is (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine.
What is the SMILES notation for (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine?
The canonical SMILES for (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine is CCCCCCC(N)C/C=C/CC1CCCC(CF)C1.
What is the InChIKey of (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine?
The InChIKey is PZTBAFTXANNHTP-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H34FN/c1-2-3-4-5-12-18(20)13-7-6-9-16-10-8-11-17(14-16)15-19/h6-7,16-18H,2-5,8-15,20H2,1H3/b7-6+.
What are the key properties of (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine?
(E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine has a molecular weight of 283.48 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(fluoromethyl)cyclohexyl]undec-2-en-5-amine is sourced from PubChem (CID 174165590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).