1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol

C10H11F4NO2 — CID 57022168

IUPAC1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol
SMILESCOc1ccccc1C(O)(C(F)F)C(N)(F)F
InChIInChI=1S/C10H11F4NO2/c1-17-7-5-3-2-4-6(7)9(16,8(11)12)10(13,14)15/h2-5,8,16H,15H2,1H3
InChIKeyJWIOENXFBSKDBI-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.70
Rot. Bonds4

About 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol

1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol (PubChem CID 57022168) has the molecular formula C10H11F4NO2 and a molecular weight of 253.20 g/mol. Its IUPAC name is 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol
PubChem CID57022168
Molecular FormulaC10H11F4NO2
Molecular Weight253.20 g/mol
Exact Mass253.07
IUPAC Name1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol
SMILESCOc1ccccc1C(O)(C(F)F)C(N)(F)F
InChIInChI=1S/C10H11F4NO2/c1-17-7-5-3-2-4-6(7)9(16,8(11)12)10(13,14)15/h2-5,8,16H,15H2,1H3
InChIKeyJWIOENXFBSKDBI-UHFFFAOYSA-N
XLogP1.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 46245
4-(aminomethyl)-3,4-dihydro-2H-1-benzopyran-4-ol
CID 12914867
2-[2-(Difluoromethoxy)phenyl]ethan-1-amine
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3-(2-Methoxyphenyl)azetidin-3-ol hydrochloride
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(1s)-1-[2-(Trifluoromethoxy)phenyl]ethan-1-ol
CID 26597265
(1R)-2-amino-1-(2-methoxyphenyl)ethan-1-ol
CID 40425421
1-(2-(Trifluoromethoxy)phenyl)ethanol
CID 44891073
4,4,4-Trifluoro-2-(2-methoxyphenyl)butan-2-ol
CID 134968291
2-(2-Methoxyphenyl)propan-2-ol
CID 591999
1,1,1,3,3,3-Hexafluoro-2-(2-methoxyphenyl)propan-2-ol
CID 328874

Frequently Asked Questions

What is the IUPAC name of 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol (CID 57022168) is 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol is COc1ccccc1C(O)(C(F)F)C(N)(F)F.
What is the InChIKey of 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol?
The InChIKey is JWIOENXFBSKDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO2/c1-17-7-5-3-2-4-6(7)9(16,8(11)12)10(13,14)15/h2-5,8,16H,15H2,1H3.
What are the key properties of 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol?
1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol has a molecular weight of 253.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,1,3,3-tetrafluoro-2-(2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 57022168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).