3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol

C12H14F3NO — CID 115045527

IUPAC3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESCC1(O)CC(N)(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H14F3NO/c1-10(17)6-11(16,7-10)8-4-2-3-5-9(8)12(13,14)15/h2-5,17H,6-7,16H2,1H3
InChIKeyUMACIEKHTGTTGB-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.40
Rot. Bonds1

About 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol

3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol (PubChem CID 115045527) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol
PubChem CID115045527
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESCC1(O)CC(N)(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H14F3NO/c1-10(17)6-11(16,7-10)8-4-2-3-5-9(8)12(13,14)15/h2-5,17H,6-7,16H2,1H3
InChIKeyUMACIEKHTGTTGB-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1s,3s)-3-Amino-3-phenylcyclobutan-1-ol hydrochloride
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3-Amino-3-phenylbutan-1-ol
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4-Amino-1,1,1-trifluoro-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
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(R)-2-Amino-2-(3-(trifluoromethyl)phenyl)propan-1-ol
CID 51892322
1-Amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 57220877
3-Amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol
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(3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 59536920
3-Amino-3-(2-(trifluoromethyl)phenyl)propan-1-OL
CID 62388839
3-Amino-3-(2-fluorophenyl)butan-1-ol
CID 65240017
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CID 66678332

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The IUPAC name of 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol (CID 115045527) is 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol is CC1(O)CC(N)(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The InChIKey is UMACIEKHTGTTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-10(17)6-11(16,7-10)8-4-2-3-5-9(8)12(13,14)15/h2-5,17H,6-7,16H2,1H3.
What are the key properties of 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol?
3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol has a molecular weight of 245.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 115045527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).