N-(3,3-difluorobut-1-en-2-yl)butan-2-imine

C8H13F2N — CID 169127834

IUPACN-(3,3-difluorobut-1-en-2-yl)butan-2-imine
SMILESC=C(/N=C(\C)CC)C(C)(F)F
InChIInChI=1S/C8H13F2N/c1-5-6(2)11-7(3)8(4,9)10/h3,5H2,1-2,4H3/b11-6+
InChIKeyHVZZQXVESOXYKV-IZZDOVSWSA-N
MW161.19 g/mol
LogP3.03
Rot. Bonds3

About N-(3,3-difluorobut-1-en-2-yl)butan-2-imine

N-(3,3-difluorobut-1-en-2-yl)butan-2-imine (PubChem CID 169127834) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is N-(3,3-difluorobut-1-en-2-yl)butan-2-imine.

Molecular Properties

Compound NameN-(3,3-difluorobut-1-en-2-yl)butan-2-imine
PubChem CID169127834
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC NameN-(3,3-difluorobut-1-en-2-yl)butan-2-imine
SMILESC=C(/N=C(\C)CC)C(C)(F)F
InChIInChI=1S/C8H13F2N/c1-5-6(2)11-7(3)8(4,9)10/h3,5H2,1-2,4H3/b11-6+
InChIKeyHVZZQXVESOXYKV-IZZDOVSWSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 53.03
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-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine
CID 123141114
N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine
CID 123183807
ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 143548562
N-(3,3,3-trifluoroprop-1-en-2-yl)but-3-en-2-imine
CID 144251803
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-imine
CID 145380727
N-(4,4,4-trifluorobut-1-en-2-yl)butan-2-imine
CID 146618655
N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine
CID 153337806
3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-3-en-2-imine
CID 163722363
N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropenta-3,4-dien-2-imine
CID 167222148
N-(3,3-difluorobut-1-en-2-yl)-3-methylbutan-2-imine
CID 170196475
1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine
CID 168972393
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
CID 168972404

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobut-1-en-2-yl)butan-2-imine?
The IUPAC name of N-(3,3-difluorobut-1-en-2-yl)butan-2-imine (CID 169127834) is N-(3,3-difluorobut-1-en-2-yl)butan-2-imine.
What is the SMILES notation for N-(3,3-difluorobut-1-en-2-yl)butan-2-imine?
The canonical SMILES for N-(3,3-difluorobut-1-en-2-yl)butan-2-imine is C=C(/N=C(\C)CC)C(C)(F)F.
What is the InChIKey of N-(3,3-difluorobut-1-en-2-yl)butan-2-imine?
The InChIKey is HVZZQXVESOXYKV-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H13F2N/c1-5-6(2)11-7(3)8(4,9)10/h3,5H2,1-2,4H3/b11-6+.
What are the key properties of N-(3,3-difluorobut-1-en-2-yl)butan-2-imine?
N-(3,3-difluorobut-1-en-2-yl)butan-2-imine has a molecular weight of 161.19 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobut-1-en-2-yl)butan-2-imine is sourced from PubChem (CID 169127834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).