N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine

C12H13F2NO — CID 74931160

IUPACN-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
SMILESCCC(=NO)C(C)=Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO/c1-3-12(15-16)8(2)6-9-4-5-10(13)11(14)7-9/h4-7,16H,3H2,1-2H3
InChIKeyWRDLKTQRPOZITC-UHFFFAOYSA-N
MW225.24 g/mol
LogP3.61
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine

N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine (PubChem CID 74931160) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
PubChem CID74931160
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
SMILESCCC(=NO)C(C)=Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO/c1-3-12(15-16)8(2)6-9-4-5-10(13)11(14)7-9/h4-7,16H,3H2,1-2H3
InChIKeyWRDLKTQRPOZITC-UHFFFAOYSA-N
XLogP3.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 53.61
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

N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
CID 173127291
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340
ethyl (E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoate
CID 104503673
(E)-4-(3,4-difluorophenyl)-3-methylbut-3-en-2-amine
CID 103091698
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene
CID 170081606
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
(E)-4-(4-bromo-3-fluorophenyl)-3-methylbut-3-en-2-one
CID 103090855
2-[(3,4-difluorophenyl)methylidene]propanedinitrile
CID 786126
(NE)-N-[(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 172987414
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
CID 102334579
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79334676

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine (CID 74931160) is N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine is CCC(=NO)C(C)=Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine?
The InChIKey is WRDLKTQRPOZITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-3-12(15-16)8(2)6-9-4-5-10(13)11(14)7-9/h4-7,16H,3H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine?
N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine has a molecular weight of 225.24 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine is sourced from PubChem (CID 74931160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).