3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol

C10H11ClF3NO3 — CID 170828895

IUPAC3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3NO3/c11-7-3-5(18-10(12,13)14)1-2-6(7)9(17)8(16)4-15/h1-3,8-9,16-17H,4,15H2
InChIKeyFMMZPKCZWPPYTK-UHFFFAOYSA-N
MW285.65 g/mol
LogP1.59
Rot. Bonds4

About 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol

3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol (PubChem CID 170828895) has the molecular formula C10H11ClF3NO3 and a molecular weight of 285.65 g/mol. Its IUPAC name is 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol
PubChem CID170828895
Molecular FormulaC10H11ClF3NO3
Molecular Weight285.65 g/mol
Exact Mass285.04
IUPAC Name3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3NO3/c11-7-3-5(18-10(12,13)14)1-2-6(7)9(17)8(16)4-15/h1-3,8-9,16-17H,4,15H2
InChIKeyFMMZPKCZWPPYTK-UHFFFAOYSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol
CID 170818716
3-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828896
methyl 4-[2-chloro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanoate
CID 171896468
4-amino-1-[2-fluoro-4-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 171882137
1-[2-amino-4-(trifluoromethoxy)phenyl]-3-chloropropane-1,2-diol
CID 171862958
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
1-[2-amino-5-(trifluoromethoxy)phenyl]-4-sulfanylbutane-1,2-diol
CID 171875016
1-[2-amino-5-(trifluoromethoxy)phenyl]-4-bromobutane-1,2-diol
CID 171892933
1-[2-amino-4-(trifluoromethoxy)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858863
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanenitrile
CID 171901845

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol?
The IUPAC name of 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol (CID 170828895) is 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol?
The canonical SMILES for 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol is NCC(O)C(O)c1ccc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol?
The InChIKey is FMMZPKCZWPPYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO3/c11-7-3-5(18-10(12,13)14)1-2-6(7)9(17)8(16)4-15/h1-3,8-9,16-17H,4,15H2.
What are the key properties of 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol?
3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol has a molecular weight of 285.65 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol is sourced from PubChem (CID 170828895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).