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

C10H18F3NO — CID 7153080

IUPAC(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CNCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h8-9,14-15H,1-7H2/t9-/m0/s1
InChIKeyKOAIXGJVLJRIMG-VIFPVBQESA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds4

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

(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 7153080) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is (2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID7153080
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CNCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h8-9,14-15H,1-7H2/t9-/m0/s1
InChIKeyKOAIXGJVLJRIMG-VIFPVBQESA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol (CID 7153080) is (2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol is O[C@@H](CNCC1CCCCC1)C(F)(F)F.
What is the InChIKey of (2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is KOAIXGJVLJRIMG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h8-9,14-15H,1-7H2/t9-/m0/s1.
What are the key properties of (2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 7153080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).