(2-fluoro-3-pent-4-ynoxyphenyl)methanamine

C12H14FNO — CID 58104319

IUPAC(2-fluoro-3-pent-4-ynoxyphenyl)methanamine
SMILESC#CCCCOc1cccc(CN)c1F
InChIInChI=1S/C12H14FNO/c1-2-3-4-8-15-11-7-5-6-10(9-14)12(11)13/h1,5-7H,3-4,8-9,14H2
InChIKeyDCSSIESVAOKMGA-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.08
Rot. Bonds5

About (2-fluoro-3-pent-4-ynoxyphenyl)methanamine

(2-fluoro-3-pent-4-ynoxyphenyl)methanamine (PubChem CID 58104319) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (2-fluoro-3-pent-4-ynoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-pent-4-ynoxyphenyl)methanamine
PubChem CID58104319
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(2-fluoro-3-pent-4-ynoxyphenyl)methanamine
SMILESC#CCCCOc1cccc(CN)c1F
InChIInChI=1S/C12H14FNO/c1-2-3-4-8-15-11-7-5-6-10(9-14)12(11)13/h1,5-7H,3-4,8-9,14H2
InChIKeyDCSSIESVAOKMGA-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-pent-4-ynoxyphenyl)methanamine?
The IUPAC name of (2-fluoro-3-pent-4-ynoxyphenyl)methanamine (CID 58104319) is (2-fluoro-3-pent-4-ynoxyphenyl)methanamine.
What is the SMILES notation for (2-fluoro-3-pent-4-ynoxyphenyl)methanamine?
The canonical SMILES for (2-fluoro-3-pent-4-ynoxyphenyl)methanamine is C#CCCCOc1cccc(CN)c1F.
What is the InChIKey of (2-fluoro-3-pent-4-ynoxyphenyl)methanamine?
The InChIKey is DCSSIESVAOKMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-2-3-4-8-15-11-7-5-6-10(9-14)12(11)13/h1,5-7H,3-4,8-9,14H2.
What are the key properties of (2-fluoro-3-pent-4-ynoxyphenyl)methanamine?
(2-fluoro-3-pent-4-ynoxyphenyl)methanamine has a molecular weight of 207.25 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pent-4-ynoxyphenyl)methanamine is sourced from PubChem (CID 58104319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).