3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

C9H9ClF3NO — CID 47002646

IUPAC3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13/h1-4,15H,5,14H2
InChIKeySTTNIAOMTGSCFK-UHFFFAOYSA-N
MW239.62 g/mol
LogP2.05
Rot. Bonds2

About 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 47002646) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID47002646
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13/h1-4,15H,5,14H2
InChIKeySTTNIAOMTGSCFK-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol
CID 107290047
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
3-amino-1,1,1-trifluoro-2-(2,3,4-trifluorophenyl)propan-2-ol
CID 63081377
(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 95474245
3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 63083089
4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol
CID 79128366
2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol
CID 165027098
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 84739096
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
CID 122239721
3-amino-2-(3-bromo-2,6-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 106943453

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol (CID 47002646) is 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol is NCC(O)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is STTNIAOMTGSCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13/h1-4,15H,5,14H2.
What are the key properties of 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.62 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 47002646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).