9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine

C18H25F6NO — CID 87639485

IUPAC9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine
SMILESFC(F)(F)N(CCCCCCCCCOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H25F6NO/c19-17(20,21)25(18(22,23)24)13-9-4-2-1-3-5-10-14-26-15-16-11-7-6-8-12-16/h6-8,11-12H,1-5,9-10,13-15H2
InChIKeyVRCRZSRQIVGLBJ-UHFFFAOYSA-N
MW385.39 g/mol
LogP6.28
Rot. Bonds12

About 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine

9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine (PubChem CID 87639485) has the molecular formula C18H25F6NO and a molecular weight of 385.39 g/mol. Its IUPAC name is 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine.

Molecular Properties

Compound Name9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine
PubChem CID87639485
Molecular FormulaC18H25F6NO
Molecular Weight385.39 g/mol
Exact Mass385.18
IUPAC Name9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine
SMILESFC(F)(F)N(CCCCCCCCCOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H25F6NO/c19-17(20,21)25(18(22,23)24)13-9-4-2-1-3-5-10-14-26-15-16-11-7-6-8-12-16/h6-8,11-12H,1-5,9-10,13-15H2
InChIKeyVRCRZSRQIVGLBJ-UHFFFAOYSA-N
XLogP6.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine?
The IUPAC name of 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine (CID 87639485) is 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine.
What is the SMILES notation for 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine?
The canonical SMILES for 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine is FC(F)(F)N(CCCCCCCCCOCc1ccccc1)C(F)(F)F.
What is the InChIKey of 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine?
The InChIKey is VRCRZSRQIVGLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F6NO/c19-17(20,21)25(18(22,23)24)13-9-4-2-1-3-5-10-14-26-15-16-11-7-6-8-12-16/h6-8,11-12H,1-5,9-10,13-15H2.
What are the key properties of 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine?
9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine has a molecular weight of 385.39 g/mol, XLogP of 6.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine is sourced from PubChem (CID 87639485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).