N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine

C12H14FNO — CID 118460968

IUPACN-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine
SMILESCC(=NO)C1(c2cccc(CF)c2)CC1
InChIInChI=1S/C12H14FNO/c1-9(14-15)12(5-6-12)11-4-2-3-10(7-11)8-13/h2-4,7,15H,5-6,8H2,1H3
InChIKeyJSJZSQCZEGEZEV-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.04
Rot. Bonds3

About N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine

N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine (PubChem CID 118460968) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine
PubChem CID118460968
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC NameN-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine
SMILESCC(=NO)C1(c2cccc(CF)c2)CC1
InChIInChI=1S/C12H14FNO/c1-9(14-15)12(5-6-12)11-4-2-3-10(7-11)8-13/h2-4,7,15H,5-6,8H2,1H3
InChIKeyJSJZSQCZEGEZEV-UHFFFAOYSA-N
XLogP3.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.04
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

1-[3-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276391
1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 118460867
1,3-bis(fluoromethyl)benzene
CID 23234185
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-phenylpiperidine-1-sulfinic acid
CID 89354883
1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117379310
2-[3-(fluoromethyl)phenyl]propan-2-ol
CID 12844398
N-[1-[1-(3-butylphenyl)cyclopropyl]ethenyl]-3-[(E)-2-phenylprop-1-enyl]iminoprop-1-en-2-amine
CID 131967897
[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 69308615
2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane
CID 23439917
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]cyclobutane-1-carboxylic acid
CID 117114251

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine (CID 118460968) is N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine is CC(=NO)C1(c2cccc(CF)c2)CC1.
What is the InChIKey of N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine?
The InChIKey is JSJZSQCZEGEZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-9(14-15)12(5-6-12)11-4-2-3-10(7-11)8-13/h2-4,7,15H,5-6,8H2,1H3.
What are the key properties of N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine?
N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine has a molecular weight of 207.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine is sourced from PubChem (CID 118460968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).