N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine

C18H27F4NO — CID 140545535

IUPACN-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine
SMILESFCCN(CCCCCCOCc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C18H27F4NO/c19-11-14-23(13-10-18(20,21)22)12-6-1-2-7-15-24-16-17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2
InChIKeyMCKQXZSBQASYOX-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.99
Rot. Bonds13

About N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine

N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine (PubChem CID 140545535) has the molecular formula C18H27F4NO and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine
PubChem CID140545535
Molecular FormulaC18H27F4NO
Molecular Weight349.41 g/mol
Exact Mass349.20
IUPAC NameN-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine
SMILESFCCN(CCCCCCOCc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C18H27F4NO/c19-11-14-23(13-10-18(20,21)22)12-6-1-2-7-15-24-16-17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2
InChIKeyMCKQXZSBQASYOX-UHFFFAOYSA-N
XLogP4.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.99
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 N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine (CID 140545535) is N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine is FCCN(CCCCCCOCc1ccccc1)CCC(F)(F)F.
What is the InChIKey of N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine?
The InChIKey is MCKQXZSBQASYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F4NO/c19-11-14-23(13-10-18(20,21)22)12-6-1-2-7-15-24-16-17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2.
What are the key properties of N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine?
N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine has a molecular weight of 349.41 g/mol, XLogP of 4.99, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-phenylmethoxy-N-(3,3,3-trifluoropropyl)hexan-1-amine is sourced from PubChem (CID 140545535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).