4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol

C11H20F3NO — CID 115043072

IUPAC4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol
SMILESNCCC(O)(C1CCCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(16,7-8-15)9-5-3-1-2-4-6-9/h9,16H,1-8,15H2
InChIKeyUBXXNDOGOKJIQX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.60
Rot. Bonds3

About 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol

4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol (PubChem CID 115043072) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol
PubChem CID115043072
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol
SMILESNCCC(O)(C1CCCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(16,7-8-15)9-5-3-1-2-4-6-9/h9,16H,1-8,15H2
InChIKeyUBXXNDOGOKJIQX-UHFFFAOYSA-N
XLogP2.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol (CID 115043072) is 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol is NCCC(O)(C1CCCCCC1)C(F)(F)F.
What is the InChIKey of 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol?
The InChIKey is UBXXNDOGOKJIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)10(16,7-8-15)9-5-3-1-2-4-6-9/h9,16H,1-8,15H2.
What are the key properties of 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol?
4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cycloheptyl-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 115043072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).