N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine

C12H16FNO — CID 118460985

IUPACN-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine
SMILESCCCCC(=NO)c1cccc(CF)c1
InChIInChI=1S/C12H16FNO/c1-2-3-7-12(14-15)11-6-4-5-10(8-11)9-13/h4-6,8,15H,2-3,7,9H2,1H3
InChIKeyKCDVXQYTCRPYTC-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.52
Rot. Bonds5

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

N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine (PubChem CID 118460985) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine
PubChem CID118460985
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine
SMILESCCCCC(=NO)c1cccc(CF)c1
InChIInChI=1S/C12H16FNO/c1-2-3-7-12(14-15)11-6-4-5-10(8-11)9-13/h4-6,8,15H,2-3,7,9H2,1H3
InChIKeyKCDVXQYTCRPYTC-UHFFFAOYSA-N
XLogP3.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.52
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

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CID 173221789
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(NE)-N-(1-phenyldodecylidene)hydroxylamine
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(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
CID 71832094
1,3-bis(fluoromethyl)benzene
CID 23234185
N-(1-pyridin-4-ylpentylidene)hydroxylamine
CID 154164009
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-methylpentanamide
CID 76932782
N-benzyl-1-phenylpentan-1-imine
CID 20688068
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
3-(fluoromethyl)benzoyl chloride
CID 88536338

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine?
The IUPAC name of N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine (CID 118460985) is N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine is CCCCC(=NO)c1cccc(CF)c1.
What is the InChIKey of N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine?
The InChIKey is KCDVXQYTCRPYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-3-7-12(14-15)11-6-4-5-10(8-11)9-13/h4-6,8,15H,2-3,7,9H2,1H3.
What are the key properties of N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine?
N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine has a molecular weight of 209.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine is sourced from PubChem (CID 118460985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).