6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine

C19H27F6NO — CID 89127107

IUPAC6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine
SMILESFC(F)(F)CCN(CCCCCCOCc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C19H27F6NO/c20-18(21,22)10-13-26(14-11-19(23,24)25)12-6-1-2-7-15-27-16-17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2
InChIKeyVFQYDOJOWGSXAU-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.97
Rot. Bonds13

About 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine

6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine (PubChem CID 89127107) has the molecular formula C19H27F6NO and a molecular weight of 399.42 g/mol. Its IUPAC name is 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine.

Molecular Properties

Compound Name6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine
PubChem CID89127107
Molecular FormulaC19H27F6NO
Molecular Weight399.42 g/mol
Exact Mass399.20
IUPAC Name6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine
SMILESFC(F)(F)CCN(CCCCCCOCc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C19H27F6NO/c20-18(21,22)10-13-26(14-11-19(23,24)25)12-6-1-2-7-15-27-16-17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2
InChIKeyVFQYDOJOWGSXAU-UHFFFAOYSA-N
XLogP5.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.97
H-Bond Donors ≤ 50
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 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine?
The IUPAC name of 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine (CID 89127107) is 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine.
What is the SMILES notation for 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine?
The canonical SMILES for 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine is FC(F)(F)CCN(CCCCCCOCc1ccccc1)CCC(F)(F)F.
What is the InChIKey of 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine?
The InChIKey is VFQYDOJOWGSXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F6NO/c20-18(21,22)10-13-26(14-11-19(23,24)25)12-6-1-2-7-15-27-16-17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2.
What are the key properties of 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine?
6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine has a molecular weight of 399.42 g/mol, XLogP of 5.97, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine is sourced from PubChem (CID 89127107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).