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

C10H12ClF4NO — CID 129160857

IUPAC[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11F4NO.ClH/c11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15;/h1-4,9H,5-6,15H2;1H
InChIKeyMABDUHVEIIPEQT-UHFFFAOYSA-N
MW273.66 g/mol
LogP2.85
Rot. Bonds5

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

[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride (PubChem CID 129160857) has the molecular formula C10H12ClF4NO and a molecular weight of 273.66 g/mol. Its IUPAC name is [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
PubChem CID129160857
Molecular FormulaC10H12ClF4NO
Molecular Weight273.66 g/mol
Exact Mass273.05
IUPAC Name[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11F4NO.ClH/c11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15;/h1-4,9H,5-6,15H2;1H
InChIKeyMABDUHVEIIPEQT-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.66
LogP ≤ 52.85
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
CID 29004952
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
1-(bromomethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 86068630
[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-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
CID 82955995
[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
CID 58218153
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride (CID 129160857) is [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride is Cl.NCc1cccc(OCC(F)(F)C(F)F)c1.
What is the InChIKey of [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride?
The InChIKey is MABDUHVEIIPEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO.ClH/c11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15;/h1-4,9H,5-6,15H2;1H.
What are the key properties of [3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride?
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride has a molecular weight of 273.66 g/mol, XLogP of 2.85, 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;hydrochloride is sourced from PubChem (CID 129160857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).