3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine

C11H20F3NO — CID 103366709

IUPAC3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine
SMILESCC1CCC(OCC(CN)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8-2-4-10(5-3-8)16-7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyUMKHTBAXDPNRQC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.72
Rot. Bonds4

About 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine

3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine (PubChem CID 103366709) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine
PubChem CID103366709
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine
SMILESCC1CCC(OCC(CN)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8-2-4-10(5-3-8)16-7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyUMKHTBAXDPNRQC-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine (CID 103366709) is 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine is CC1CCC(OCC(CN)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine?
The InChIKey is UMKHTBAXDPNRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8-2-4-10(5-3-8)16-7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine?
3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propan-1-amine is sourced from PubChem (CID 103366709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).