(Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride

C9H15F2N — CID 174029590

IUPAC(Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride
SMILESCC(C)C(C)/C=C\C(F)=NCF
InChIInChI=1S/C9H15F2N/c1-7(2)8(3)4-5-9(11)12-6-10/h4-5,7-8H,6H2,1-3H3/b5-4-,12-9?
InChIKeyDRTWMFZNBQOJFB-JCOXTXFISA-N
MW175.22 g/mol
LogP3.13
Rot. Bonds4

About (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride

(Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride (PubChem CID 174029590) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride
PubChem CID174029590
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride
SMILESCC(C)C(C)/C=C\C(F)=NCF
InChIInChI=1S/C9H15F2N/c1-7(2)8(3)4-5-9(11)12-6-10/h4-5,7-8H,6H2,1-3H3/b5-4-,12-9?
InChIKeyDRTWMFZNBQOJFB-JCOXTXFISA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine
CID 167146607
(Z)-N,4-dimethylhex-2-enimidoyl fluoride
CID 155728645
(Z)-N,5,6-trimethylhept-3-en-2-imine
CID 91244028

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride?
The IUPAC name of (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride (CID 174029590) is (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride?
The canonical SMILES for (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride is CC(C)C(C)/C=C\C(F)=NCF.
What is the InChIKey of (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride?
The InChIKey is DRTWMFZNBQOJFB-JCOXTXFISA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(2)8(3)4-5-9(11)12-6-10/h4-5,7-8H,6H2,1-3H3/b5-4-,12-9?.
What are the key properties of (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride?
(Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride has a molecular weight of 175.22 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(fluoromethyl)-4,5-dimethylhex-2-enimidoyl fluoride is sourced from PubChem (CID 174029590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).