(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine

C8H10F3NO — CID 169488452

IUPAC(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
SMILESC=C(C)/C(C)=C/C(=N/O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5(2)6(3)4-7(12-13)8(9,10)11/h4,13H,1H2,2-3H3/b6-4+,12-7-
InChIKeyQGTOHAXCRAOJNV-SVXSPUGDSA-N
MW193.17 g/mol
LogP2.90
Rot. Bonds2

About (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine

(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine (PubChem CID 169488452) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
PubChem CID169488452
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
SMILESC=C(C)/C(C)=C/C(=N/O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5(2)6(3)4-7(12-13)8(9,10)11/h4,13H,1H2,2-3H3/b6-4+,12-7-
InChIKeyQGTOHAXCRAOJNV-SVXSPUGDSA-N
XLogP2.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene
CID 178140699
(3E)-2-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-ol
CID 143740716
(3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene
CID 143562192
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
CID 176921719
(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane
CID 170732020
(3E)-2,3-dimethyl-5-(trifluoromethoxymethyl)hexa-1,3,5-triene;ethane
CID 169142514
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 143951906
(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
CID 143320084
(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898
(2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine
CID 153376164
(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
CID 142285293

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine (CID 169488452) is (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine is C=C(C)/C(C)=C/C(=N/O)C(F)(F)F.
What is the InChIKey of (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine?
The InChIKey is QGTOHAXCRAOJNV-SVXSPUGDSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-5(2)6(3)4-7(12-13)8(9,10)11/h4,13H,1H2,2-3H3/b6-4+,12-7-.
What are the key properties of (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine?
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine has a molecular weight of 193.17 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine is sourced from PubChem (CID 169488452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).