3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol

C10H18F3NO — CID 83823325

IUPAC3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol
SMILESOCCC(NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(6-7-15)14-8-4-2-1-3-5-8/h8-9,14-15H,1-7H2
InChIKeyVKETUHWDMVCJNH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds4

About 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol

3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol (PubChem CID 83823325) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol
PubChem CID83823325
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol
SMILESOCCC(NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(6-7-15)14-8-4-2-1-3-5-8/h8-9,14-15H,1-7H2
InChIKeyVKETUHWDMVCJNH-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol (CID 83823325) is 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol is OCCC(NC1CCCCC1)C(F)(F)F.
What is the InChIKey of 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol?
The InChIKey is VKETUHWDMVCJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(6-7-15)14-8-4-2-1-3-5-8/h8-9,14-15H,1-7H2.
What are the key properties of 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol?
3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 83823325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).