2,3,5-trifluoro-4-pentoxycyclohexan-1-amine

C11H20F3NO — CID 123312363

IUPAC2,3,5-trifluoro-4-pentoxycyclohexan-1-amine
SMILESCCCCCOC1C(F)CC(N)C(F)C1F
InChIInChI=1S/C11H20F3NO/c1-2-3-4-5-16-11-7(12)6-8(15)9(13)10(11)14/h7-11H,2-6,15H2,1H3
InChIKeyOEMMENCJCHLDLJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.31
Rot. Bonds5

About 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine

2,3,5-trifluoro-4-pentoxycyclohexan-1-amine (PubChem CID 123312363) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine.

Molecular Properties

Compound Name2,3,5-trifluoro-4-pentoxycyclohexan-1-amine
PubChem CID123312363
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2,3,5-trifluoro-4-pentoxycyclohexan-1-amine
SMILESCCCCCOC1C(F)CC(N)C(F)C1F
InChIInChI=1S/C11H20F3NO/c1-2-3-4-5-16-11-7(12)6-8(15)9(13)10(11)14/h7-11H,2-6,15H2,1H3
InChIKeyOEMMENCJCHLDLJ-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.31
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 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine?
The IUPAC name of 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine (CID 123312363) is 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine.
What is the SMILES notation for 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine?
The canonical SMILES for 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine is CCCCCOC1C(F)CC(N)C(F)C1F.
What is the InChIKey of 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine?
The InChIKey is OEMMENCJCHLDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-3-4-5-16-11-7(12)6-8(15)9(13)10(11)14/h7-11H,2-6,15H2,1H3.
What are the key properties of 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine?
2,3,5-trifluoro-4-pentoxycyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-4-pentoxycyclohexan-1-amine is sourced from PubChem (CID 123312363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).