(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol

C10H13F2NO2 — CID 106931834

IUPAC(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H13F2NO2/c1-7(14)6-13-8-2-4-9(5-3-8)15-10(11)12/h2-5,7,10,13-14H,6H2,1H3/t7-/m1/s1
InChIKeyVIQYYAHFCBTOST-SSDOTTSWSA-N
MW217.22 g/mol
LogP2.08
Rot. Bonds5

About (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol

(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol (PubChem CID 106931834) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
PubChem CID106931834
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H13F2NO2/c1-7(14)6-13-8-2-4-9(5-3-8)15-10(11)12/h2-5,7,10,13-14H,6H2,1H3/t7-/m1/s1
InChIKeyVIQYYAHFCBTOST-SSDOTTSWSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol
CID 60900056
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-(difluoromethoxy)aniline
CID 106437440
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
(2S)-2-amino-N-[(2S)-1-[4-(difluoromethoxy)anilino]propan-2-yl]-4,4-dimethylpentanamide
CID 69195604
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625
6-[4-(difluoromethoxy)anilino]hexan-1-ol
CID 113264757

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol?
The IUPAC name of (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol (CID 106931834) is (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol is C[C@@H](O)CNc1ccc(OC(F)F)cc1.
What is the InChIKey of (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol?
The InChIKey is VIQYYAHFCBTOST-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-7(14)6-13-8-2-4-9(5-3-8)15-10(11)12/h2-5,7,10,13-14H,6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol?
(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol has a molecular weight of 217.22 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol is sourced from PubChem (CID 106931834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).