1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol

C16H15Cl2FO — CID 107307633

IUPAC1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1cccc(Cl)c1Cl)c1ccccc1F
InChIInChI=1S/C16H15Cl2FO/c1-2-16(20,12-7-3-4-9-14(12)19)10-11-6-5-8-13(17)15(11)18/h3-9,20H,2,10H2,1H3
InChIKeyPMYMLJFEBHWORF-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.97
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol

1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol (PubChem CID 107307633) has the molecular formula C16H15Cl2FO and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
PubChem CID107307633
Molecular FormulaC16H15Cl2FO
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1cccc(Cl)c1Cl)c1ccccc1F
InChIInChI=1S/C16H15Cl2FO/c1-2-16(20,12-7-3-4-9-14(12)19)10-11-6-5-8-13(17)15(11)18/h3-9,20H,2,10H2,1H3
InChIKeyPMYMLJFEBHWORF-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996284
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 114931152
1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996259
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
1-(2-chloro-3-fluorophenyl)-2-phenylpentan-2-ol
CID 115983354
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
2-(2,3-dichlorophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 114833591
1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996407
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
5-ethyl-3-(2-fluorophenyl)heptan-3-ol
CID 112679496
3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
CID 112743445

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol (CID 107307633) is 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol is CCC(O)(Cc1cccc(Cl)c1Cl)c1ccccc1F.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol?
The InChIKey is PMYMLJFEBHWORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO/c1-2-16(20,12-7-3-4-9-14(12)19)10-11-6-5-8-13(17)15(11)18/h3-9,20H,2,10H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol?
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol has a molecular weight of 313.20 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 107307633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).