(NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine

C5H6F3NO — CID 134242121

IUPAC(NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine
SMILESC/C=C\C(=N/O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3-4(9-10)5(6,7)8/h2-3,10H,1H3/b3-2-,9-4+
InChIKeyQUUGXWOLBOIYOF-SEEXIRIMSA-N
MW153.10 g/mol
LogP1.96
Rot. Bonds1

About (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine

(NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine (PubChem CID 134242121) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine
PubChem CID134242121
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name(NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine
SMILESC/C=C\C(=N/O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3-4(9-10)5(6,7)8/h2-3,10H,1H3/b3-2-,9-4+
InChIKeyQUUGXWOLBOIYOF-SEEXIRIMSA-N
XLogP1.96
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.96
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'}

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Related Compounds

(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
Pent-3-en-2-one oxime
CID 119096111
(Z,1E)-N-hydroxypent-2-enimidoyl fluoride
CID 172945410
(E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine
CID 172958863
N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine
CID 174496911
(Prop-1-enyl)ketoxime
CID 129758060
N-(1,1,1-trifluoro-4-methylhexa-3,5-dien-2-ylidene)hydroxylamine
CID 85521535
N-pent-3-en-2-ylidenehydroxylamine
CID 139631450
N-hex-3-en-2-ylidenehydroxylamine
CID 145857943
(NE)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine
CID 154517287
ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine
CID 155751390
(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine
CID 155751391

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine (CID 134242121) is (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine is C/C=C\C(=N/O)C(F)(F)F.
What is the InChIKey of (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine?
The InChIKey is QUUGXWOLBOIYOF-SEEXIRIMSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-2-3-4(9-10)5(6,7)8/h2-3,10H,1H3/b3-2-,9-4+.
What are the key properties of (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine has a molecular weight of 153.10 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 134242121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).