2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine

C10H12F3NO — CID 82004110

IUPAC2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine
SMILESNCC(OCC(F)F)c1ccccc1F
InChIInChI=1S/C10H12F3NO/c11-8-4-2-1-3-7(8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6,14H2
InChIKeyWCNPHBRNRFUYTN-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.11
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine

2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine (PubChem CID 82004110) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine
PubChem CID82004110
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine
SMILESNCC(OCC(F)F)c1ccccc1F
InChIInChI=1S/C10H12F3NO/c11-8-4-2-1-3-7(8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6,14H2
InChIKeyWCNPHBRNRFUYTN-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82004824
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934056
2-(2-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 55018888
N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82006977
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
CID 103401296
2-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)ethanamine
CID 65124766
2-(2-fluorophenyl)-2-(1-phenylethoxy)ethanamine
CID 55019036
2-cyclohexyloxy-2-(2-fluorophenyl)ethanamine
CID 55018547
2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine
CID 55019037
2-(4-bromo-2-fluorophenoxy)-2-(2-fluorophenyl)ethanamine
CID 55019182
2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile
CID 55018646
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine (CID 82004110) is 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine is NCC(OCC(F)F)c1ccccc1F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine?
The InChIKey is WCNPHBRNRFUYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-8-4-2-1-3-7(8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6,14H2.
What are the key properties of 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine?
2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 82004110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).