(Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine

C9H15F2N — CID 143857248

IUPAC(Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine
SMILESC/N=C(/C=C\C(C)(C)C)C(F)F
InChIInChI=1S/C9H15F2N/c1-9(2,3)6-5-7(12-4)8(10)11/h5-6,8H,1-4H3/b6-5-,12-7-
InChIKeyPKXHBZCKCSDMQT-VZVVJSHISA-N
MW175.22 g/mol
LogP2.92
Rot. Bonds2

About (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine

(Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine (PubChem CID 143857248) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine
PubChem CID143857248
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine
SMILESC/N=C(/C=C\C(C)(C)C)C(F)F
InChIInChI=1S/C9H15F2N/c1-9(2,3)6-5-7(12-4)8(10)11/h5-6,8H,1-4H3/b6-5-,12-7-
InChIKeyPKXHBZCKCSDMQT-VZVVJSHISA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.92
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

3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 91208998
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(4E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hepta-1,4-dien-3-imine
CID 123788699
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine?
The IUPAC name of (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine (CID 143857248) is (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine.
What is the SMILES notation for (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine?
The canonical SMILES for (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine is C/N=C(/C=C\C(C)(C)C)C(F)F.
What is the InChIKey of (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine?
The InChIKey is PKXHBZCKCSDMQT-VZVVJSHISA-N. The full InChI is InChI=1S/C9H15F2N/c1-9(2,3)6-5-7(12-4)8(10)11/h5-6,8H,1-4H3/b6-5-,12-7-.
What are the key properties of (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine?
(Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine has a molecular weight of 175.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1-difluoro-N,5,5-trimethylhex-3-en-2-imine is sourced from PubChem (CID 143857248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).