2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol

C10H13F2IN2O — CID 107478099

IUPAC2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol
SMILESNc1ccc(N(CCO)CC(F)F)c(I)c1
InChIInChI=1S/C10H13F2IN2O/c11-10(12)6-15(3-4-16)9-2-1-7(14)5-8(9)13/h1-2,5,10,16H,3-4,6,14H2
InChIKeyQOVBISUHJBDCKC-UHFFFAOYSA-N
MW342.13 g/mol
LogP1.94
Rot. Bonds5

About 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol

2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol (PubChem CID 107478099) has the molecular formula C10H13F2IN2O and a molecular weight of 342.13 g/mol. Its IUPAC name is 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol
PubChem CID107478099
Molecular FormulaC10H13F2IN2O
Molecular Weight342.13 g/mol
Exact Mass342.00
IUPAC Name2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol
SMILESNc1ccc(N(CCO)CC(F)F)c(I)c1
InChIInChI=1S/C10H13F2IN2O/c11-10(12)6-15(3-4-16)9-2-1-7(14)5-8(9)13/h1-2,5,10,16H,3-4,6,14H2
InChIKeyQOVBISUHJBDCKC-UHFFFAOYSA-N
XLogP1.94
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5-fluorobenzonitrile
CID 107479576
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480561
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 107479827
2-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carboxamide
CID 114195454
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-(trifluoromethyl)benzaldehyde
CID 107480684
2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
CID 107478448
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478248
5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid
CID 61235629
2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107491312
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile
CID 107479568

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol (CID 107478099) is 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol is Nc1ccc(N(CCO)CC(F)F)c(I)c1.
What is the InChIKey of 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol?
The InChIKey is QOVBISUHJBDCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2IN2O/c11-10(12)6-15(3-4-16)9-2-1-7(14)5-8(9)13/h1-2,5,10,16H,3-4,6,14H2.
What are the key properties of 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol?
2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol has a molecular weight of 342.13 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol is sourced from PubChem (CID 107478099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).