(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine

C10H11F2NO — CID 170017589

IUPAC(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine
SMILESCC(C)(/C=N/O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO/c1-10(2,6-13-14)9-7(11)4-3-5-8(9)12/h3-6,14H,1-2H3/b13-6+
InChIKeyBLAWBNGEIFMFQK-AWNIVKPZSA-N
MW199.20 g/mol
LogP2.70
Rot. Bonds2

About (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine

(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine (PubChem CID 170017589) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine
PubChem CID170017589
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine
SMILESCC(C)(/C=N/O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO/c1-10(2,6-13-14)9-7(11)4-3-5-8(9)12/h3-6,14H,1-2H3/b13-6+
InChIKeyBLAWBNGEIFMFQK-AWNIVKPZSA-N
XLogP2.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.70
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

Phenylacetaldoxime
CID 99748
(E)-Phenylacetaldehyde oxime
CID 9638853
Benzaldehyde, p-fluoro-, oxime
CID 5372466
N-[(4-fluorophenyl)methylidene]hydroxylamine
CID 68017
4-Fluorobenzaldehyde oxime
CID 6436078
N-((2-methylphenyl)methylidene)hydroxylamine
CID 6904185
(Z)-Phenylacetaldehyde oxime
CID 5939523
(NE)-N-[2-(3,4-difluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11550569
(NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
CID 142575111
N-{[2-(trifluoromethyl)phenyl]methylidene}hydroxylamine
CID 6868090
Benzaldehyde, 2-fluoro-, oxime
CID 587025
3-Fluorobenzaldehyde oxime
CID 1808815

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine (CID 170017589) is (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine is CC(C)(/C=N/O)c1c(F)cccc1F.
What is the InChIKey of (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine?
The InChIKey is BLAWBNGEIFMFQK-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-10(2,6-13-14)9-7(11)4-3-5-8(9)12/h3-6,14H,1-2H3/b13-6+.
What are the key properties of (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine?
(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine has a molecular weight of 199.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine is sourced from PubChem (CID 170017589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).