4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine

C10H18F3NO — CID 126566213

IUPAC4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine
SMILESNC1CCC(COCCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-6-15-7-8-1-3-9(14)4-2-8/h8-9H,1-7,14H2
InChIKeyVKTMCFVATDWETG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds4

About 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine

4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine (PubChem CID 126566213) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine
PubChem CID126566213
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine
SMILESNC1CCC(COCCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-6-15-7-8-1-3-9(14)4-2-8/h8-9H,1-7,14H2
InChIKeyVKTMCFVATDWETG-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine?
The IUPAC name of 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine (CID 126566213) is 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine is NC1CCC(COCCC(F)(F)F)CC1.
What is the InChIKey of 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine?
The InChIKey is VKTMCFVATDWETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)5-6-15-7-8-1-3-9(14)4-2-8/h8-9H,1-7,14H2.
What are the key properties of 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine?
4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 126566213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).