2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol

C10H10Cl2F3NO2 — CID 170893686

IUPAC2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1c(Cl)cc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C10H10Cl2F3NO2/c11-8-2-6(18-10(13,14)15)3-9(12)7(8)1-5(16)4-17/h2-3,5,17H,1,4,16H2
InChIKeyKFEAKIVUEJCREO-UHFFFAOYSA-N
MW304.10 g/mol
LogP2.75
Rot. Bonds4

About 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol

2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol (PubChem CID 170893686) has the molecular formula C10H10Cl2F3NO2 and a molecular weight of 304.10 g/mol. Its IUPAC name is 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol
PubChem CID170893686
Molecular FormulaC10H10Cl2F3NO2
Molecular Weight304.10 g/mol
Exact Mass303.00
IUPAC Name2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1c(Cl)cc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C10H10Cl2F3NO2/c11-8-2-6(18-10(13,14)15)3-9(12)7(8)1-5(16)4-17/h2-3,5,17H,1,4,16H2
InChIKeyKFEAKIVUEJCREO-UHFFFAOYSA-N
XLogP2.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893687
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170892599
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol
CID 170818716
3-chloro-5-(trifluoromethoxy)benzene-1,2-diamine
CID 118807866
2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893691
2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893673
1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891292
3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882371
2-(aminomethyl)-6-chloro-4-(trifluoromethoxy)aniline
CID 119001858
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol (CID 170893686) is 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol is NC(CO)Cc1c(Cl)cc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol?
The InChIKey is KFEAKIVUEJCREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO2/c11-8-2-6(18-10(13,14)15)3-9(12)7(8)1-5(16)4-17/h2-3,5,17H,1,4,16H2.
What are the key properties of 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol?
2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol has a molecular weight of 304.10 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 170893686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).