(NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine

C6H9F4NO — CID 88811768

IUPAC(NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine
SMILESCC(CF)(CF)/C(=N\O)C(F)F
InChIInChI=1S/C6H9F4NO/c1-6(2-7,3-8)4(11-12)5(9)10/h5,12H,2-3H2,1H3/b11-4-
InChIKeyCGGDAKXJWNYPAL-WCIBSUBMSA-N
MW187.14 g/mol
LogP2.03
Rot. Bonds4

About (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine

(NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine (PubChem CID 88811768) has the molecular formula C6H9F4NO and a molecular weight of 187.14 g/mol. Its IUPAC name is (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine
PubChem CID88811768
Molecular FormulaC6H9F4NO
Molecular Weight187.14 g/mol
Exact Mass187.06
IUPAC Name(NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine
SMILESCC(CF)(CF)/C(=N\O)C(F)F
InChIInChI=1S/C6H9F4NO/c1-6(2-7,3-8)4(11-12)5(9)10/h5,12H,2-3H2,1H3/b11-4-
InChIKeyCGGDAKXJWNYPAL-WCIBSUBMSA-N
XLogP2.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 52.03
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

(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile
CID 88812786
(NZ)-N-(1,1-difluoropropan-2-ylidene)hydroxylamine
CID 22769389
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419
1,2-difluoro-2-iodopropane
CID 175825476
(NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine
CID 155125097
(Z)-5-ethyl-1,1-difluoro-4-hydroxy-5-methylhept-3-en-2-one
CID 176751566
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide
CID 103369562
1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol
CID 19788883
N-tert-butyl-2,6-dimethylheptan-4-imine
CID 155787750
N-(2-fluorobutylidene)hydroxylamine
CID 154368227
butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate
CID 144698561
2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide
CID 56992863

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine (CID 88811768) is (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine is CC(CF)(CF)/C(=N\O)C(F)F.
What is the InChIKey of (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine?
The InChIKey is CGGDAKXJWNYPAL-WCIBSUBMSA-N. The full InChI is InChI=1S/C6H9F4NO/c1-6(2-7,3-8)4(11-12)5(9)10/h5,12H,2-3H2,1H3/b11-4-.
What are the key properties of (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine?
(NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine has a molecular weight of 187.14 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 88811768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).