(2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol

C13H20F3NO — CID 163243040

IUPAC(2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
SMILESOC[C@@H](CC1(C(F)(F)F)CC1)NC1CC2(CC2)C1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)12(3-4-12)7-10(8-18)17-9-5-11(6-9)1-2-11/h9-10,17-18H,1-8H2/t10-/m1/s1
InChIKeyDIUASZXFYFOWJI-SNVBAGLBSA-N
MW263.30 g/mol
LogP2.61
Rot. Bonds5

About (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol

(2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol (PubChem CID 163243040) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
PubChem CID163243040
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name(2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
SMILESOC[C@@H](CC1(C(F)(F)F)CC1)NC1CC2(CC2)C1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)12(3-4-12)7-10(8-18)17-9-5-11(6-9)1-2-11/h9-10,17-18H,1-8H2/t10-/m1/s1
InChIKeyDIUASZXFYFOWJI-SNVBAGLBSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
The IUPAC name of (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol (CID 163243040) is (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol.
What is the SMILES notation for (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
The canonical SMILES for (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol is OC[C@@H](CC1(C(F)(F)F)CC1)NC1CC2(CC2)C1.
What is the InChIKey of (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
The InChIKey is DIUASZXFYFOWJI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)12(3-4-12)7-10(8-18)17-9-5-11(6-9)1-2-11/h9-10,17-18H,1-8H2/t10-/m1/s1.
What are the key properties of (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
(2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol has a molecular weight of 263.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(spiro[2.3]hexan-5-ylamino)-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol is sourced from PubChem (CID 163243040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).