3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline

C10H11ClF4N2 — CID 106293658

IUPAC3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
SMILESNc1cc(Cl)cc(CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11ClF4N2/c11-7-1-6(2-8(16)3-7)4-17-5-10(14,15)9(12)13/h1-3,9,17H,4-5,16H2
InChIKeyPXENFFHUYZMFLL-UHFFFAOYSA-N
MW270.66 g/mol
LogP2.91
Rot. Bonds5

About 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline

3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline (PubChem CID 106293658) has the molecular formula C10H11ClF4N2 and a molecular weight of 270.66 g/mol. Its IUPAC name is 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline.

Molecular Properties

Compound Name3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
PubChem CID106293658
Molecular FormulaC10H11ClF4N2
Molecular Weight270.66 g/mol
Exact Mass270.05
IUPAC Name3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
SMILESNc1cc(Cl)cc(CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11ClF4N2/c11-7-1-6(2-8(16)3-7)4-17-5-10(14,15)9(12)13/h1-3,9,17H,4-5,16H2
InChIKeyPXENFFHUYZMFLL-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529399
3-chloro-5-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327738
N-[(3,5-dimethoxyphenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529436
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529488
2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline
CID 82833180
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106291281
3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293675
4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106294036
2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol
CID 114169005
N-[(4-bromo-2-chlorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529394
5-bromo-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293884
2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine
CID 103529393

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
The IUPAC name of 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline (CID 106293658) is 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline.
What is the SMILES notation for 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
The canonical SMILES for 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline is Nc1cc(Cl)cc(CNCC(F)(F)C(F)F)c1.
What is the InChIKey of 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
The InChIKey is PXENFFHUYZMFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF4N2/c11-7-1-6(2-8(16)3-7)4-17-5-10(14,15)9(12)13/h1-3,9,17H,4-5,16H2.
What are the key properties of 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline has a molecular weight of 270.66 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline is sourced from PubChem (CID 106293658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).