N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C10H9ClF5N — CID 103529399

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFc1ccc(CNCC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C10H9ClF5N/c11-7-3-6(1-2-8(7)12)4-17-5-10(15,16)9(13)14/h1-3,9,17H,4-5H2
InChIKeyOKVXDTHJTKVDCF-UHFFFAOYSA-N
MW273.63 g/mol
LogP3.47
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529399) has the molecular formula C10H9ClF5N and a molecular weight of 273.63 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529399
Molecular FormulaC10H9ClF5N
Molecular Weight273.63 g/mol
Exact Mass273.03
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFc1ccc(CNCC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C10H9ClF5N/c11-7-3-6(1-2-8(7)12)4-17-5-10(15,16)9(13)14/h1-3,9,17H,4-5H2
InChIKeyOKVXDTHJTKVDCF-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-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106291281
N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 103733439
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62538415
N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62537604
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529488
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]butan-1-amine
CID 103041347
1-(3-chloro-4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60615965
2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine
CID 103529393

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 103529399) is N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is Fc1ccc(CNCC(F)(F)C(F)F)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is OKVXDTHJTKVDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF5N/c11-7-3-6(1-2-8(7)12)4-17-5-10(15,16)9(13)14/h1-3,9,17H,4-5H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(3-chloro-4-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-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).