N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine

C10H18F3NO — CID 146615375

IUPACN-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
SMILESCC(C)N[C@H](C1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)14-9(10(11,12)13)8-3-5-15-6-4-8/h7-9,14H,3-6H2,1-2H3/t9-/m1/s1
InChIKeySLASIJNVJUSMAQ-SECBINFHSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds3

About N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine

N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine (PubChem CID 146615375) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
PubChem CID146615375
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
SMILESCC(C)N[C@H](C1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)14-9(10(11,12)13)8-3-5-15-6-4-8/h7-9,14H,3-6H2,1-2H3/t9-/m1/s1
InChIKeySLASIJNVJUSMAQ-SECBINFHSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine?
The IUPAC name of N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine (CID 146615375) is N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine is CC(C)N[C@H](C1CCOCC1)C(F)(F)F.
What is the InChIKey of N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine?
The InChIKey is SLASIJNVJUSMAQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)14-9(10(11,12)13)8-3-5-15-6-4-8/h7-9,14H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine?
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 146615375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).