N-[2-(2,2-difluoroethoxy)ethyl]aniline

C10H13F2NO — CID 82010381

IUPACN-[2-(2,2-difluoroethoxy)ethyl]aniline
SMILESFC(F)COCCNc1ccccc1
InChIInChI=1S/C10H13F2NO/c11-10(12)8-14-7-6-13-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyDRUDBWIZCPEYPV-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]aniline

N-[2-(2,2-difluoroethoxy)ethyl]aniline (PubChem CID 82010381) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]aniline
PubChem CID82010381
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]aniline
SMILESFC(F)COCCNc1ccccc1
InChIInChI=1S/C10H13F2NO/c11-10(12)8-14-7-6-13-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyDRUDBWIZCPEYPV-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline
CID 82010260
1-N-[2-[3-[2-(4-anilinoanilino)ethoxy]-2-methylpropoxy]ethyl]-4-N-phenylbenzene-1,4-diamine
CID 126713469
N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine
CID 103081300
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 102977075
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
2-(2-anilinoethoxy)ethyl formate
CID 102065077
2-[2-(2-anilinoethoxy)ethoxy]acetic acid
CID 101429259
2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
CID 103081199
N-[2-(cyclopentylmethoxy)ethyl]aniline
CID 66323368
N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103081594

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]aniline?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]aniline (CID 82010381) is N-[2-(2,2-difluoroethoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]aniline?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]aniline is FC(F)COCCNc1ccccc1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]aniline?
The InChIKey is DRUDBWIZCPEYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12)8-14-7-6-13-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]aniline?
N-[2-(2,2-difluoroethoxy)ethyl]aniline has a molecular weight of 201.22 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]aniline is sourced from PubChem (CID 82010381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).