(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol

C10H18F3NO — CID 2315335

IUPAC(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2/t8-,9+/m0/s1
InChIKeyHAWYUDDIJZYSRJ-DTWKUNHWSA-N
MW225.25 g/mol
LogP2.21
Rot. Bonds3

About (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol

(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol (PubChem CID 2315335) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
PubChem CID2315335
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2/t8-,9+/m0/s1
InChIKeyHAWYUDDIJZYSRJ-DTWKUNHWSA-N
XLogP2.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol (CID 2315335) is (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol is N[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol?
The InChIKey is HAWYUDDIJZYSRJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol?
(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 2315335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).