4-(difluoromethylidene)-2-propylhexan-1-imine

C10H17F2N — CID 126637145

IUPAC4-(difluoromethylidene)-2-propylhexan-1-imine
SMILES[H]/N=C/C(CCC)CC(CC)=C(F)F
InChIInChI=1S/C10H17F2N/c1-3-5-8(7-13)6-9(4-2)10(11)12/h7-8,13H,3-6H2,1-2H3/b13-7+
InChIKeyJHBVNBNTJNLVAB-NTUHNPAUSA-N
MW189.25 g/mol
LogP4.00
Rot. Bonds6

About 4-(difluoromethylidene)-2-propylhexan-1-imine

4-(difluoromethylidene)-2-propylhexan-1-imine (PubChem CID 126637145) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2-propylhexan-1-imine.

Molecular Properties

Compound Name4-(difluoromethylidene)-2-propylhexan-1-imine
PubChem CID126637145
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4-(difluoromethylidene)-2-propylhexan-1-imine
SMILES[H]/N=C/C(CCC)CC(CC)=C(F)F
InChIInChI=1S/C10H17F2N/c1-3-5-8(7-13)6-9(4-2)10(11)12/h7-8,13H,3-6H2,1-2H3/b13-7+
InChIKeyJHBVNBNTJNLVAB-NTUHNPAUSA-N
XLogP4.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 54.00
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-methanimidoyl-N-methylpentan-1-amine
CID 90738575
3-methanimidoylpentane-1,5-diol
CID 91152734
3-methanimidoyl-2-oxohexanal
CID 143350731
(4R)-4-methanimidoylhexanal
CID 174567624
2-(difluoromethylidene)butan-1-ol
CID 151776974
(E)-6-methyl-4-propyloct-6-en-1-imine
CID 166765062
(2E)-2-ethylidene-4-methanimidoylhexanamide
CID 167093885
2-methanimidoylhexanoic acid
CID 54460602
(2S)-2-methanimidoyl-N,N-dimethylbutan-1-amine;dihydrochloride
CID 174435575
2-propylpentanedial
CID 86120951
(2S)-2-ethylpentanal
CID 71368973
4-methylheptan-3-imine
CID 149092868

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2-propylhexan-1-imine?
The IUPAC name of 4-(difluoromethylidene)-2-propylhexan-1-imine (CID 126637145) is 4-(difluoromethylidene)-2-propylhexan-1-imine.
What is the SMILES notation for 4-(difluoromethylidene)-2-propylhexan-1-imine?
The canonical SMILES for 4-(difluoromethylidene)-2-propylhexan-1-imine is [H]/N=C/C(CCC)CC(CC)=C(F)F.
What is the InChIKey of 4-(difluoromethylidene)-2-propylhexan-1-imine?
The InChIKey is JHBVNBNTJNLVAB-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H17F2N/c1-3-5-8(7-13)6-9(4-2)10(11)12/h7-8,13H,3-6H2,1-2H3/b13-7+.
What are the key properties of 4-(difluoromethylidene)-2-propylhexan-1-imine?
4-(difluoromethylidene)-2-propylhexan-1-imine has a molecular weight of 189.25 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2-propylhexan-1-imine is sourced from PubChem (CID 126637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).