(2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol

C7H12F3NO — CID 163242845

IUPAC(2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
SMILESN[C@@H](CO)CC1(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(1-2-6)3-5(11)4-12/h5,12H,1-4,11H2/t5-/m1/s1
InChIKeyAHUAWQOCNWOJDP-RXMQYKEDSA-N
MW183.17 g/mol
LogP1.04
Rot. Bonds3

About (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol

(2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol (PubChem CID 163242845) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
PubChem CID163242845
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
SMILESN[C@@H](CO)CC1(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(1-2-6)3-5(11)4-12/h5,12H,1-4,11H2/t5-/m1/s1
InChIKeyAHUAWQOCNWOJDP-RXMQYKEDSA-N
XLogP1.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol (CID 163242845) is (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol is N[C@@H](CO)CC1(C(F)(F)F)CC1.
What is the InChIKey of (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
The InChIKey is AHUAWQOCNWOJDP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(1-2-6)3-5(11)4-12/h5,12H,1-4,11H2/t5-/m1/s1.
What are the key properties of (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
(2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol is sourced from PubChem (CID 163242845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).