N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine

C12H22F3NO — CID 66276844

IUPACN-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
SMILESCC(OCCCNC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-10(12(13,14)15)17-9-5-8-16-11-6-3-2-4-7-11/h10-11,16H,2-9H2,1H3
InChIKeyDXQUZGKKRFSMAS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds6

About N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine

N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine (PubChem CID 66276844) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
PubChem CID66276844
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
SMILESCC(OCCCNC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-10(12(13,14)15)17-9-5-8-16-11-6-3-2-4-7-11/h10-11,16H,2-9H2,1H3
InChIKeyDXQUZGKKRFSMAS-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
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 N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine?
The IUPAC name of N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine (CID 66276844) is N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine is CC(OCCCNC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine?
The InChIKey is DXQUZGKKRFSMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(12(13,14)15)17-9-5-8-16-11-6-3-2-4-7-11/h10-11,16H,2-9H2,1H3.
What are the key properties of N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine?
N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine is sourced from PubChem (CID 66276844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).