4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol

C10H12ClF2NO — CID 105497065

IUPAC4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol
SMILESCC(O)(c1ccc(Cl)cc1)C(F)(F)CN
InChIInChI=1S/C10H12ClF2NO/c1-9(15,10(12,13)6-14)7-2-4-8(11)5-3-7/h2-5,15H,6,14H2,1H3
InChIKeyKBWXBZZDCGUQHQ-UHFFFAOYSA-N
MW235.66 g/mol
LogP2.14
Rot. Bonds3

About 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol

4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol (PubChem CID 105497065) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol
PubChem CID105497065
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol
SMILESCC(O)(c1ccc(Cl)cc1)C(F)(F)CN
InChIInChI=1S/C10H12ClF2NO/c1-9(15,10(12,13)6-14)7-2-4-8(11)5-3-7/h2-5,15H,6,14H2,1H3
InChIKeyKBWXBZZDCGUQHQ-UHFFFAOYSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol?
The IUPAC name of 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol (CID 105497065) is 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol.
What is the SMILES notation for 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol?
The canonical SMILES for 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol is CC(O)(c1ccc(Cl)cc1)C(F)(F)CN.
What is the InChIKey of 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol?
The InChIKey is KBWXBZZDCGUQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c1-9(15,10(12,13)6-14)7-2-4-8(11)5-3-7/h2-5,15H,6,14H2,1H3.
What are the key properties of 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol?
4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol has a molecular weight of 235.66 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-chlorophenyl)-3,3-difluorobutan-2-ol is sourced from PubChem (CID 105497065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).