N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine

C5H7Cl2F2NO — CID 173452074

IUPACN-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine
SMILESCC(C(=NO)C(F)F)C(Cl)Cl
InChIInChI=1S/C5H7Cl2F2NO/c1-2(4(6)7)3(10-11)5(8)9/h2,4-5,11H,1H3
InChIKeyPIJPGYYEDCQQME-UHFFFAOYSA-N
MW206.02 g/mol
LogP2.52
Rot. Bonds3

About N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine

N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine (PubChem CID 173452074) has the molecular formula C5H7Cl2F2NO and a molecular weight of 206.02 g/mol. Its IUPAC name is N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine
PubChem CID173452074
Molecular FormulaC5H7Cl2F2NO
Molecular Weight206.02 g/mol
Exact Mass204.99
IUPAC NameN-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine
SMILESCC(C(=NO)C(F)F)C(Cl)Cl
InChIInChI=1S/C5H7Cl2F2NO/c1-2(4(6)7)3(10-11)5(8)9/h2,4-5,11H,1H3
InChIKeyPIJPGYYEDCQQME-UHFFFAOYSA-N
XLogP2.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.02
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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'}

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Related Compounds

(NZ)-N-(1,1-difluoropropan-2-ylidene)hydroxylamine
CID 22769389
(NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine
CID 146656420
(NE)-N-(3-chlorobutan-2-ylidene)hydroxylamine
CID 12545781
4,4-dichloro-2,3-dimethylbut-1-ene
CID 142049943
(1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride
CID 122577405
1-chloro-1-fluoroethane;dichloromethane;methanol
CID 174297915
1,1-difluoroethane
CID 6368
chloro(difluoro)methane
CID 102425690
chloro(trimethyl)phosphanium
CID 15830224
1-chloro-2-sulfanylpropan-1-ol
CID 91498092
alumane;1,1-dichloro-2-methylpropane
CID 173060987
1-fluoroethanol;rutherfordium
CID 58987118

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine (CID 173452074) is N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine is CC(C(=NO)C(F)F)C(Cl)Cl.
What is the InChIKey of N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine?
The InChIKey is PIJPGYYEDCQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl2F2NO/c1-2(4(6)7)3(10-11)5(8)9/h2,4-5,11H,1H3.
What are the key properties of N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine?
N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine has a molecular weight of 206.02 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dichloro-1,1-difluoro-3-methylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 173452074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).