N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C10H9ClF5N — CID 106291281

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFc1ccc(Cl)c(CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9ClF5N/c11-8-2-1-7(12)3-6(8)4-17-5-10(15,16)9(13)14/h1-3,9,17H,4-5H2
InChIKeyGAMJZZKUDGAROA-UHFFFAOYSA-N
MW273.63 g/mol
LogP3.47
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106291281) has the molecular formula C10H9ClF5N and a molecular weight of 273.63 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106291281
Molecular FormulaC10H9ClF5N
Molecular Weight273.63 g/mol
Exact Mass273.03
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFc1ccc(Cl)c(CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9ClF5N/c11-8-2-1-7(12)3-6(8)4-17-5-10(15,16)9(13)14/h1-3,9,17H,4-5H2
InChIKeyGAMJZZKUDGAROA-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.63
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106175909
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103461305
N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 102615967
N-[(4-bromo-2-chlorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529394
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529399
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984
N-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 102615662

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 106291281) is N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is Fc1ccc(Cl)c(CNCC(F)(F)C(F)F)c1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is GAMJZZKUDGAROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF5N/c11-8-2-1-7(12)3-6(8)4-17-5-10(15,16)9(13)14/h1-3,9,17H,4-5H2.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 273.63 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106291281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).