3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine

C16H15F2N — CID 30513

IUPAC3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H15F2N/c1-19-9-8-16(12-4-2-6-14(17)10-12)13-5-3-7-15(18)11-13/h2-8,10-11,19H,9H2,1H3
InChIKeyLIOWNAOLAQKDHP-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.62
Rot. Bonds4

About 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine

3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 30513) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine
PubChem CID30513
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H15F2N/c1-19-9-8-16(12-4-2-6-14(17)10-12)13-5-3-7-15(18)11-13/h2-8,10-11,19H,9H2,1H3
InChIKeyLIOWNAOLAQKDHP-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine (CID 30513) is 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine is CNCC=C(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is LIOWNAOLAQKDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c1-19-9-8-16(12-4-2-6-14(17)10-12)13-5-3-7-15(18)11-13/h2-8,10-11,19H,9H2,1H3.
What are the key properties of 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine?
3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 259.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 30513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).