2,2-difluoropentan-3-imine

C5H9F2N — CID 123948481

IUPAC2,2-difluoropentan-3-imine
SMILES[H]/N=C(\CC)C(C)(F)F
InChIInChI=1S/C5H9F2N/c1-3-4(8)5(2,6)7/h8H,3H2,1-2H3/b8-4+
InChIKeyFATBWNFJSXAQKS-XBXARRHUSA-N
MW121.13 g/mol
LogP2.07
Rot. Bonds2

About 2,2-difluoropentan-3-imine

2,2-difluoropentan-3-imine (PubChem CID 123948481) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 2,2-difluoropentan-3-imine.

Molecular Properties

Compound Name2,2-difluoropentan-3-imine
PubChem CID123948481
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name2,2-difluoropentan-3-imine
SMILES[H]/N=C(\CC)C(C)(F)F
InChIInChI=1S/C5H9F2N/c1-3-4(8)5(2,6)7/h8H,3H2,1-2H3/b8-4+
InChIKeyFATBWNFJSXAQKS-XBXARRHUSA-N
XLogP2.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoropentan-3-one
CID 23462566
4-imino-2-methylhexan-2-ol
CID 174678205
2,2,6,6-tetramethylheptan-3-imine
CID 134551035
6,6,6-trifluoro-3,5-diiminohexan-2-one
CID 123221131
(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
CID 167141623
4,4,4-trifluoro-3,3-dimethylbutan-2-imine
CID 90693772
4,4-difluoropentanimidamide
CID 84731110
N-(2,2-dimethylpropyl)-N-methylpropanimidamide
CID 63177754
1,1,1-trifluoro-4-imino-2-methylpentan-2-ol
CID 162559545
heptane-3,5-diimine
CID 142023911
5-hydroxy-4-imino-5-(trifluoromethyl)heptan-3-one
CID 174687082
N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride
CID 175258009

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropentan-3-imine?
The IUPAC name of 2,2-difluoropentan-3-imine (CID 123948481) is 2,2-difluoropentan-3-imine.
What is the SMILES notation for 2,2-difluoropentan-3-imine?
The canonical SMILES for 2,2-difluoropentan-3-imine is [H]/N=C(\CC)C(C)(F)F.
What is the InChIKey of 2,2-difluoropentan-3-imine?
The InChIKey is FATBWNFJSXAQKS-XBXARRHUSA-N. The full InChI is InChI=1S/C5H9F2N/c1-3-4(8)5(2,6)7/h8H,3H2,1-2H3/b8-4+.
What are the key properties of 2,2-difluoropentan-3-imine?
2,2-difluoropentan-3-imine has a molecular weight of 121.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropentan-3-imine is sourced from PubChem (CID 123948481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).