[3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine

C10H18FN — CID 163480796

IUPAC[3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine
SMILESCCC1=CCCC(CN)(CF)C1
InChIInChI=1S/C10H18FN/c1-2-9-4-3-5-10(6-9,7-11)8-12/h4H,2-3,5-8,12H2,1H3
InChIKeyCEIKDDVCNPMUMQ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.42
Rot. Bonds3

About [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine

[3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine (PubChem CID 163480796) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine
PubChem CID163480796
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name[3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine
SMILESCCC1=CCCC(CN)(CF)C1
InChIInChI=1S/C10H18FN/c1-2-9-4-3-5-10(6-9,7-11)8-12/h4H,2-3,5-8,12H2,1H3
InChIKeyCEIKDDVCNPMUMQ-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.42
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 [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine?
The IUPAC name of [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine (CID 163480796) is [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine?
The canonical SMILES for [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine is CCC1=CCCC(CN)(CF)C1.
What is the InChIKey of [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine?
The InChIKey is CEIKDDVCNPMUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-2-9-4-3-5-10(6-9,7-11)8-12/h4H,2-3,5-8,12H2,1H3.
What are the key properties of [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine?
[3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine has a molecular weight of 171.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 163480796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).