N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline

C10H12F3NO — CID 82010260

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCOCC(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-8-1-3-9(4-2-8)14-5-6-15-7-10(12)13/h1-4,10,14H,5-7H2
InChIKeyUCVZJGRXHITFSW-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline

N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline (PubChem CID 82010260) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline
PubChem CID82010260
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCOCC(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-8-1-3-9(4-2-8)14-5-6-15-7-10(12)13/h1-4,10,14H,5-7H2
InChIKeyUCVZJGRXHITFSW-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.52
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]aniline
CID 82010381
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
4-fluoro-N-(2-heptoxyethyl)aniline
CID 63505615
N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine
CID 103081300
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081168
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine
CID 102977961
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
CID 62599050
2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103081062
N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
CID 62785083
4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline
CID 76946670
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]-4-methylpyridin-2-amine
CID 103081298

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline (CID 82010260) is N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline is Fc1ccc(NCCOCC(F)F)cc1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline?
The InChIKey is UCVZJGRXHITFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-8-1-3-9(4-2-8)14-5-6-15-7-10(12)13/h1-4,10,14H,5-7H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline?
N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline has a molecular weight of 219.21 g/mol, XLogP of 2.52, 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]-4-fluoroaniline is sourced from PubChem (CID 82010260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).