2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol

C11H13F6NO — CID 123763658

IUPAC2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESCC(N)C(O)C1C=C(C(F)(F)F)C=C(C(F)(F)F)C1
InChIInChI=1S/C11H13F6NO/c1-5(18)9(19)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17/h2,4-6,9,19H,3,18H2,1H3
InChIKeyZNUIGLBAWNMATJ-UHFFFAOYSA-N
MW289.22 g/mol
LogP2.69
Rot. Bonds2

About 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol

2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol (PubChem CID 123763658) has the molecular formula C11H13F6NO and a molecular weight of 289.22 g/mol. Its IUPAC name is 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol
PubChem CID123763658
Molecular FormulaC11H13F6NO
Molecular Weight289.22 g/mol
Exact Mass289.09
IUPAC Name2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESCC(N)C(O)C1C=C(C(F)(F)F)C=C(C(F)(F)F)C1
InChIInChI=1S/C11H13F6NO/c1-5(18)9(19)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17/h2,4-6,9,19H,3,18H2,1H3
InChIKeyZNUIGLBAWNMATJ-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol
CID 91559581
Amino-[3-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 174313944
(1S,2S)-2-amino-1-(3-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 134533651
1-Amino-1-cyclohexa-2,4-dien-1-ylpropan-2-ol
CID 141836254
3-Amino-4-cyclohexa-2,4-dien-1-ylbutan-2-ol
CID 141893604
(1R,2S)-2-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol
CID 148183583

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol?
The IUPAC name of 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol (CID 123763658) is 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol?
The canonical SMILES for 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol is CC(N)C(O)C1C=C(C(F)(F)F)C=C(C(F)(F)F)C1.
What is the InChIKey of 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol?
The InChIKey is ZNUIGLBAWNMATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6NO/c1-5(18)9(19)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17/h2,4-6,9,19H,3,18H2,1H3.
What are the key properties of 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol?
2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol has a molecular weight of 289.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol is sourced from PubChem (CID 123763658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).