(2E)-2-(fluoromethylidene)tridecan-1-amine

C14H28FN — CID 15595231

IUPAC(2E)-2-(fluoromethylidene)tridecan-1-amine
SMILESCCCCCCCCCCC/C(=C\F)CN
InChIInChI=1S/C14H28FN/c1-2-3-4-5-6-7-8-9-10-11-14(12-15)13-16/h12H,2-11,13,16H2,1H3/b14-12+
InChIKeyDDSAPLITNSIQBH-WYMLVPIESA-N
MW229.38 g/mol
LogP4.72
Rot. Bonds11

About (2E)-2-(fluoromethylidene)tridecan-1-amine

(2E)-2-(fluoromethylidene)tridecan-1-amine (PubChem CID 15595231) has the molecular formula C14H28FN and a molecular weight of 229.38 g/mol. Its IUPAC name is (2E)-2-(fluoromethylidene)tridecan-1-amine.

Molecular Properties

Compound Name(2E)-2-(fluoromethylidene)tridecan-1-amine
PubChem CID15595231
Molecular FormulaC14H28FN
Molecular Weight229.38 g/mol
Exact Mass229.22
IUPAC Name(2E)-2-(fluoromethylidene)tridecan-1-amine
SMILESCCCCCCCCCCC/C(=C\F)CN
InChIInChI=1S/C14H28FN/c1-2-3-4-5-6-7-8-9-10-11-14(12-15)13-16/h12H,2-11,13,16H2,1H3/b14-12+
InChIKeyDDSAPLITNSIQBH-WYMLVPIESA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2E)-2-(fluoromethylidene)tridecan-1-amine?
The IUPAC name of (2E)-2-(fluoromethylidene)tridecan-1-amine (CID 15595231) is (2E)-2-(fluoromethylidene)tridecan-1-amine.
What is the SMILES notation for (2E)-2-(fluoromethylidene)tridecan-1-amine?
The canonical SMILES for (2E)-2-(fluoromethylidene)tridecan-1-amine is CCCCCCCCCCC/C(=C\F)CN.
What is the InChIKey of (2E)-2-(fluoromethylidene)tridecan-1-amine?
The InChIKey is DDSAPLITNSIQBH-WYMLVPIESA-N. The full InChI is InChI=1S/C14H28FN/c1-2-3-4-5-6-7-8-9-10-11-14(12-15)13-16/h12H,2-11,13,16H2,1H3/b14-12+.
What are the key properties of (2E)-2-(fluoromethylidene)tridecan-1-amine?
(2E)-2-(fluoromethylidene)tridecan-1-amine has a molecular weight of 229.38 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(fluoromethylidene)tridecan-1-amine is sourced from PubChem (CID 15595231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).