N-ethyl-2,2-difluoro-2-iodoethanamine

C4H8F2IN — CID 129161141

IUPACN-ethyl-2,2-difluoro-2-iodoethanamine
SMILESCCNCC(F)(F)I
InChIInChI=1S/C4H8F2IN/c1-2-8-3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyDBPPSACLASXCHR-UHFFFAOYSA-N
MW235.01 g/mol
LogP1.62
Rot. Bonds3

About N-ethyl-2,2-difluoro-2-iodoethanamine

N-ethyl-2,2-difluoro-2-iodoethanamine (PubChem CID 129161141) has the molecular formula C4H8F2IN and a molecular weight of 235.01 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-2-iodoethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-2-iodoethanamine
PubChem CID129161141
Molecular FormulaC4H8F2IN
Molecular Weight235.01 g/mol
Exact Mass234.97
IUPAC NameN-ethyl-2,2-difluoro-2-iodoethanamine
SMILESCCNCC(F)(F)I
InChIInChI=1S/C4H8F2IN/c1-2-8-3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyDBPPSACLASXCHR-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.01
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine
CID 155370446
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
N-ethyl-2,2-difluoro-2-methylsulfonylethanamine
CID 83108570
1-(ethylamino)-2-methylpropane-2-thiol
CID 13049084
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62353424
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
cerium;N-ethylethanamine
CID 174691303
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;λ2-plumbane
CID 174566138

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-2-iodoethanamine?
The IUPAC name of N-ethyl-2,2-difluoro-2-iodoethanamine (CID 129161141) is N-ethyl-2,2-difluoro-2-iodoethanamine.
What is the SMILES notation for N-ethyl-2,2-difluoro-2-iodoethanamine?
The canonical SMILES for N-ethyl-2,2-difluoro-2-iodoethanamine is CCNCC(F)(F)I.
What is the InChIKey of N-ethyl-2,2-difluoro-2-iodoethanamine?
The InChIKey is DBPPSACLASXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2IN/c1-2-8-3-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of N-ethyl-2,2-difluoro-2-iodoethanamine?
N-ethyl-2,2-difluoro-2-iodoethanamine has a molecular weight of 235.01 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-2-iodoethanamine is sourced from PubChem (CID 129161141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).