1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine

C12H13ClFNO — CID 86669070

IUPAC1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine
SMILESCON=C(C)[C@@H]1C[C@H]1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,8-9H,6H2,1-2H3/t8-,9+/m0/s1
InChIKeyFDRAITCEFKGWEH-DTWKUNHWSA-N
MW241.69 g/mol
LogP3.60
Rot. Bonds3

About 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine

1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine (PubChem CID 86669070) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine
PubChem CID86669070
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine
SMILESCON=C(C)[C@@H]1C[C@H]1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,8-9H,6H2,1-2H3/t8-,9+/m0/s1
InChIKeyFDRAITCEFKGWEH-DTWKUNHWSA-N
XLogP3.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-Chloro-6-fluorophenyl)cyclopropyl](4-fluorophenyl)methanone oxime
CID 5904673
(NE)-N-[(E)-4-(2-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 46224999
N-[1-(2-chlorophenyl)ethylidene]hydroxylamine
CID 9584509
(E)-1-(2-chlorophenyl)-N-methoxyethanimine
CID 45257545
1-(2-chlorophenyl)-N-methoxyethanimine
CID 54089109
N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine
CID 3723042
(NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine
CID 19103171
1-(2-chloro-4-fluorophenyl)-N-methoxyethanimine
CID 53779262
1-(4-chloro-3-fluorophenyl)-N-methoxyethanimine
CID 54121998
1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine
CID 54171977
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine
CID 54232489
N-[1-(2-chloro-6-fluorophenyl)ethylidene]hydroxylamine
CID 85631147

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine?
The IUPAC name of 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine (CID 86669070) is 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine.
What is the SMILES notation for 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine?
The canonical SMILES for 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine is CON=C(C)[C@@H]1C[C@H]1c1c(F)cccc1Cl.
What is the InChIKey of 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine?
The InChIKey is FDRAITCEFKGWEH-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,8-9H,6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine?
1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine has a molecular weight of 241.69 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine is sourced from PubChem (CID 86669070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).