(2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol

C9H16F3NO — CID 40550398

IUPAC(2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CNC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)6-13-7-4-2-1-3-5-7/h7-8,13-14H,1-6H2/t8-/m0/s1
InChIKeyFQOQFPFCGXFDOA-QMMMGPOBSA-N
MW211.23 g/mol
LogP1.83
Rot. Bonds3

About (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol

(2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 40550398) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID40550398
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CNC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)6-13-7-4-2-1-3-5-7/h7-8,13-14H,1-6H2/t8-/m0/s1
InChIKeyFQOQFPFCGXFDOA-QMMMGPOBSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol (CID 40550398) is (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol is O[C@@H](CNC1CCCCC1)C(F)(F)F.
What is the InChIKey of (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is FQOQFPFCGXFDOA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)8(14)6-13-7-4-2-1-3-5-7/h7-8,13-14H,1-6H2/t8-/m0/s1.
What are the key properties of (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(cyclohexylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 40550398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).