[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine

C10H10F5NO — CID 82004812

IUPAC[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(OCC(F)F)ccc1C(F)(F)F
InChIInChI=1S/C10H10F5NO/c11-9(12)5-17-7-1-2-8(10(13,14)15)6(3-7)4-16/h1-3,9H,4-5,16H2
InChIKeyNUZBNNBMPXFUPQ-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.81
Rot. Bonds4

About [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine

[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 82004812) has the molecular formula C10H10F5NO and a molecular weight of 255.19 g/mol. Its IUPAC name is [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID82004812
Molecular FormulaC10H10F5NO
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(OCC(F)F)ccc1C(F)(F)F
InChIInChI=1S/C10H10F5NO/c11-9(12)5-17-7-1-2-8(10(13,14)15)6(3-7)4-16/h1-3,9H,4-5,16H2
InChIKeyNUZBNNBMPXFUPQ-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 103400813
[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
CID 43320906
4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline
CID 155818639
[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine
CID 122490208
[3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine
CID 168531118
[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 129320520
[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine
CID 107532733
1-(chloromethyl)-4-(2,2-difluoroethoxy)-2-methylbenzene
CID 87426607
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine (CID 82004812) is [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine is NCc1cc(OCC(F)F)ccc1C(F)(F)F.
What is the InChIKey of [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is NUZBNNBMPXFUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO/c11-9(12)5-17-7-1-2-8(10(13,14)15)6(3-7)4-16/h1-3,9H,4-5,16H2.
What are the key properties of [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine?
[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 255.19 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 82004812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).