1,1-difluoro-N-(3-fluorophenyl)propan-2-imine

C9H8F3N — CID 130247360

IUPAC1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
SMILESC/C(=N\c1cccc(F)c1)C(F)F
InChIInChI=1S/C9H8F3N/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-5,9H,1H3/b13-6+
InChIKeyQCQTTYFHPXSDBB-AWNIVKPZSA-N
MW187.16 g/mol
LogP3.18
Rot. Bonds2

About 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine

1,1-difluoro-N-(3-fluorophenyl)propan-2-imine (PubChem CID 130247360) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine.

Molecular Properties

Compound Name1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
PubChem CID130247360
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
SMILESC/C(=N\c1cccc(F)c1)C(F)F
InChIInChI=1S/C9H8F3N/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-5,9H,1H3/b13-6+
InChIKeyQCQTTYFHPXSDBB-AWNIVKPZSA-N
XLogP3.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
CID 139246224
N'-(3-fluorophenyl)-3-methylbutanimidamide
CID 121219593
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
1,3-difluorobenzene;methanol
CID 144994633
diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride
CID 135544958
N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide
CID 11778680
(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135672253
1-fluoro-3-(sulfonylamino)benzene
CID 151719875
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
methyl N-cyano-N'-[3-(3-fluorophenyl)phenyl]carbamimidothioate
CID 169363775
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)diazene
CID 166445658
ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane
CID 125450850

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine?
The IUPAC name of 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine (CID 130247360) is 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine.
What is the SMILES notation for 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine?
The canonical SMILES for 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine is C/C(=N\c1cccc(F)c1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine?
The InChIKey is QCQTTYFHPXSDBB-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H8F3N/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-5,9H,1H3/b13-6+.
What are the key properties of 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine?
1,1-difluoro-N-(3-fluorophenyl)propan-2-imine has a molecular weight of 187.16 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(3-fluorophenyl)propan-2-imine is sourced from PubChem (CID 130247360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).