(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine

C10H17F2N — CID 166919456

IUPAC(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
SMILESC/C=C(\C=N\C)C(F)(F)C(C)CC
InChIInChI=1S/C10H17F2N/c1-5-8(3)10(11,12)9(6-2)7-13-4/h6-8H,5H2,1-4H3/b9-6+,13-7+
InChIKeyYECKTGMVDVWYPO-KTKDNUBYSA-N
MW189.25 g/mol
LogP3.31
Rot. Bonds4

About (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine

(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine (PubChem CID 166919456) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine.

Molecular Properties

Compound Name(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
PubChem CID166919456
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
SMILESC/C=C(\C=N\C)C(F)(F)C(C)CC
InChIInChI=1S/C10H17F2N/c1-5-8(3)10(11,12)9(6-2)7-13-4/h6-8H,5H2,1-4H3/b9-6+,13-7+
InChIKeyYECKTGMVDVWYPO-KTKDNUBYSA-N
XLogP3.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine?
The IUPAC name of (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine (CID 166919456) is (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine.
What is the SMILES notation for (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine?
The canonical SMILES for (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine is C/C=C(\C=N\C)C(F)(F)C(C)CC.
What is the InChIKey of (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine?
The InChIKey is YECKTGMVDVWYPO-KTKDNUBYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-5-8(3)10(11,12)9(6-2)7-13-4/h6-8H,5H2,1-4H3/b9-6+,13-7+.
What are the key properties of (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine?
(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine has a molecular weight of 189.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine is sourced from PubChem (CID 166919456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).