[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine

C11H13F4NO — CID 43128661

IUPAC[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
SMILESNCc1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H13F4NO/c12-10(13)11(14,15)7-17-6-9-3-1-8(5-16)2-4-9/h1-4,10H,5-7,16H2
InChIKeyZXXDVXQLZVSGAD-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.56
Rot. Bonds6

About [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine

[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine (PubChem CID 43128661) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
PubChem CID43128661
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
SMILESNCc1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H13F4NO/c12-10(13)11(14,15)7-17-6-9-3-1-8(5-16)2-4-9/h1-4,10H,5-7,16H2
InChIKeyZXXDVXQLZVSGAD-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.56
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

2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 19968650
(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 22859115
(3-(Methoxymethyl)phenyl)methanamine
CID 16787292
1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
(4-((2,2,2-Trifluoroethoxy)methyl)phenyl)methanamine
CID 16227394
{4-[(Oxan-4-yloxy)methyl]phenyl}methanamine
CID 57656432
1-(4-Methoxymethylphenyl)ethylamine
CID 591393
(4-(Dimethoxymethyl)phenyl)methanamine
CID 54283740
(4-((2-Methoxyethoxy)methyl)phenyl)methanamine
CID 18070546
(4-(Ethoxymethyl)phenyl)methanamine
CID 16784161
[4-(Methoxymethyl)phenyl]methanamine
CID 16790827
[2-(Ethoxymethyl)phenyl]methanamine
CID 16792336

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine?
The IUPAC name of [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine (CID 43128661) is [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine?
The canonical SMILES for [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine is NCc1ccc(COCC(F)(F)C(F)F)cc1.
What is the InChIKey of [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine?
The InChIKey is ZXXDVXQLZVSGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c12-10(13)11(14,15)7-17-6-9-3-1-8(5-16)2-4-9/h1-4,10H,5-7,16H2.
What are the key properties of [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine?
[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine has a molecular weight of 251.22 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine is sourced from PubChem (CID 43128661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).