(NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine

C14H14F3NO — CID 118955033

IUPAC(NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine
SMILESCCCCC#C/C(=N\O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-2-3-4-5-6-13(18-19)11-7-9-12(10-8-11)14(15,16)17/h7-10,19H,2-4H2,1H3/b18-13+
InChIKeyUNHJGVSUUCYUNK-QGOAFFKASA-N
MW269.27 g/mol
LogP4.08
Rot. Bonds3

About (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine

(NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine (PubChem CID 118955033) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine
PubChem CID118955033
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name(NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine
SMILESCCCCC#C/C(=N\O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-2-3-4-5-6-13(18-19)11-7-9-12(10-8-11)14(15,16)17/h7-10,19H,2-4H2,1H3/b18-13+
InChIKeyUNHJGVSUUCYUNK-QGOAFFKASA-N
XLogP4.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
CID 118955028
1-[4-(trifluoromethyl)phenyl]non-2-yn-1-one
CID 102169250
1-hex-1-ynyl-4-(trifluoromethyl)benzene
CID 11736275
5-hex-1-ynyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 19386370
1-(1,1-difluorodec-3-ynyl)-4-(trifluoromethyl)benzene
CID 170854926
1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
11-[4-(trifluoromethyl)phenyl]undec-10-yn-5-ol
CID 170548876
3-ethyl-1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 114963710
S-butyl 4-(trifluoromethyl)benzenecarbothioate
CID 122382217
1-pent-1-ynyl-4-(trifluoromethyl)benzene
CID 68880068
1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one
CID 129088557
N-tert-butyl-1-phenylpentadec-2-yn-1-imine
CID 71659442

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine (CID 118955033) is (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine is CCCCC#C/C(=N\O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine?
The InChIKey is UNHJGVSUUCYUNK-QGOAFFKASA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-3-4-5-6-13(18-19)11-7-9-12(10-8-11)14(15,16)17/h7-10,19H,2-4H2,1H3/b18-13+.
What are the key properties of (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine?
(NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine has a molecular weight of 269.27 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine is sourced from PubChem (CID 118955033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).