N-(1,1-difluoropropan-2-yl)-4-iodoaniline

C9H10F2IN — CID 102868199

IUPACN-(1,1-difluoropropan-2-yl)-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1)C(F)F
InChIInChI=1S/C9H10F2IN/c1-6(9(10)11)13-8-4-2-7(12)3-5-8/h2-6,9,13H,1H3
InChIKeyLEZNFUNHFHQEHX-UHFFFAOYSA-N
MW297.09 g/mol
LogP3.36
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)-4-iodoaniline

N-(1,1-difluoropropan-2-yl)-4-iodoaniline (PubChem CID 102868199) has the molecular formula C9H10F2IN and a molecular weight of 297.09 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-4-iodoaniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-4-iodoaniline
PubChem CID102868199
Molecular FormulaC9H10F2IN
Molecular Weight297.09 g/mol
Exact Mass296.98
IUPAC NameN-(1,1-difluoropropan-2-yl)-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1)C(F)F
InChIInChI=1S/C9H10F2IN/c1-6(9(10)11)13-8-4-2-7(12)3-5-8/h2-6,9,13H,1H3
InChIKeyLEZNFUNHFHQEHX-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.09
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1,1-difluoropropan-2-yl)aniline
CID 102867820
N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline
CID 102867799
4-(1,1-difluoropropan-2-ylamino)benzoic acid
CID 102868222
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
CID 102868708
N-(1,1-difluoropropan-2-yl)-4-(2-methoxyethoxy)aniline
CID 102868863
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]-2-methylpropanenitrile
CID 102868301
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline
CID 102867861
N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 102868409
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol
CID 102869200

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-4-iodoaniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-4-iodoaniline (CID 102868199) is N-(1,1-difluoropropan-2-yl)-4-iodoaniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-4-iodoaniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-4-iodoaniline is CC(Nc1ccc(I)cc1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-4-iodoaniline?
The InChIKey is LEZNFUNHFHQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2IN/c1-6(9(10)11)13-8-4-2-7(12)3-5-8/h2-6,9,13H,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-4-iodoaniline?
N-(1,1-difluoropropan-2-yl)-4-iodoaniline has a molecular weight of 297.09 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-4-iodoaniline is sourced from PubChem (CID 102868199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).