1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol

C10H11ClFNO — CID 123162954

IUPAC1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol
SMILESOC(CCl)C/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H11ClFNO/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8/h1-4,6,10,14H,5,7H2/b13-6+
InChIKeyOPDFRRHSMARYDC-AWNIVKPZSA-N
MW215.66 g/mol
LogP1.84
Rot. Bonds4

About 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol

1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol (PubChem CID 123162954) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol
PubChem CID123162954
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol
SMILESOC(CCl)C/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H11ClFNO/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8/h1-4,6,10,14H,5,7H2/b13-6+
InChIKeyOPDFRRHSMARYDC-AWNIVKPZSA-N
XLogP1.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.84
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'}

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Related Compounds

2-[(Phenylmethylene)amino]ethanol
CID 97677
(E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine
CID 23499565
1-(Benzylideneamino)propan-2-ol
CID 222072
2-[(2-Fluorophenyl)methylideneamino]-2-methylpropan-1-ol
CID 272297
2-{(E)-[(3-Fluorophenyl)methylidene]amino}-2-methylpropan-1-ol
CID 272298
N-(3-chloropropyl)-1-(4-fluorophenyl)methanimine
CID 12162873
(E)-N-(3-chloropropoxy)-1-(4-fluorophenyl)methanimine
CID 21947387
3-chloro-N-(3-fluorobenzylidene)propan-1-amine
CID 58335513
1-(2-fluorophenyl)-N-[(2R)-2-methoxypropyl]methanimine
CID 69855534
N-(3-chloropropoxy)-1-(4-fluorophenyl)methanimine
CID 73855554
N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine
CID 74057331
(2S)-1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol
CID 89762720

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol?
The IUPAC name of 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol (CID 123162954) is 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol is OC(CCl)C/N=C/c1ccc(F)cc1.
What is the InChIKey of 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol?
The InChIKey is OPDFRRHSMARYDC-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8/h1-4,6,10,14H,5,7H2/b13-6+.
What are the key properties of 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol?
1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol has a molecular weight of 215.66 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(4-fluorophenyl)methylideneamino]propan-2-ol is sourced from PubChem (CID 123162954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).