[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine

C10H11F4NO — CID 29004952

IUPAC[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
SMILESNCc1cccc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15/h1-4,9H,5-6,15H2
InChIKeyVZAUDURHBQEVDH-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.42
Rot. Bonds5

About [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine

[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine (PubChem CID 29004952) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
PubChem CID29004952
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
SMILESNCc1cccc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15/h1-4,9H,5-6,15H2
InChIKeyVZAUDURHBQEVDH-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
CID 129160857
1-(bromomethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 86068630
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
[3-(2,3,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 150786633
[3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 102814566
[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
CID 164885128
[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
CID 43128661
[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
CID 82955995
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
CID 58218153
[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine
CID 106485119

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine?
The IUPAC name of [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine (CID 29004952) is [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine.
What is the SMILES notation for [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine?
The canonical SMILES for [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine is NCc1cccc(OCC(F)(F)C(F)F)c1.
What is the InChIKey of [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine?
The InChIKey is VZAUDURHBQEVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15/h1-4,9H,5-6,15H2.
What are the key properties of [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine?
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine has a molecular weight of 237.20 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine is sourced from PubChem (CID 29004952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).