3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine

C10H19F2N — CID 70326662

IUPAC3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine
SMILESCNCCCC1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-13-8-2-3-9-4-6-10(11,12)7-5-9/h9,13H,2-8H2,1H3
InChIKeyVTCULUTXQBOINI-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.81
Rot. Bonds4

About 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine

3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine (PubChem CID 70326662) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine
PubChem CID70326662
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine
SMILESCNCCCC1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-13-8-2-3-9-4-6-10(11,12)7-5-9/h9,13H,2-8H2,1H3
InChIKeyVTCULUTXQBOINI-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine (CID 70326662) is 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine is CNCCCC1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine?
The InChIKey is VTCULUTXQBOINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-13-8-2-3-9-4-6-10(11,12)7-5-9/h9,13H,2-8H2,1H3.
What are the key properties of 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine?
3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine has a molecular weight of 191.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine is sourced from PubChem (CID 70326662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).