1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol

C9H9ClFIO — CID 90206971

IUPAC1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol
SMILESOC(CCI)c1cc(Cl)ccc1F
InChIInChI=1S/C9H9ClFIO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9,13H,3-4H2
InChIKeyPBZJFAZYIMNIQT-UHFFFAOYSA-N
MW314.53 g/mol
LogP3.34
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol

1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol (PubChem CID 90206971) has the molecular formula C9H9ClFIO and a molecular weight of 314.53 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol
PubChem CID90206971
Molecular FormulaC9H9ClFIO
Molecular Weight314.53 g/mol
Exact Mass313.94
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol
SMILESOC(CCI)c1cc(Cl)ccc1F
InChIInChI=1S/C9H9ClFIO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9,13H,3-4H2
InChIKeyPBZJFAZYIMNIQT-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol
CID 114853191
1-(5-chloro-2-fluorophenyl)-2-hydrazinylethanol
CID 82649992
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
CID 171267367
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
CID 167001188
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
CID 84788316

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol (CID 90206971) is 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol is OC(CCI)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol?
The InChIKey is PBZJFAZYIMNIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFIO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9,13H,3-4H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol?
1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol has a molecular weight of 314.53 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol is sourced from PubChem (CID 90206971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).