4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine

C10H18F3NO — CID 80683805

IUPAC4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine
SMILESCC1(C(N)CCC(F)(F)F)CCCCO1
InChIInChI=1S/C10H18F3NO/c1-9(5-2-3-7-15-9)8(14)4-6-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeySXKQTIURLIZBFD-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds3

About 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine

4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine (PubChem CID 80683805) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine
PubChem CID80683805
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine
SMILESCC1(C(N)CCC(F)(F)F)CCCCO1
InChIInChI=1S/C10H18F3NO/c1-9(5-2-3-7-15-9)8(14)4-6-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeySXKQTIURLIZBFD-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine (CID 80683805) is 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine is CC1(C(N)CCC(F)(F)F)CCCCO1.
What is the InChIKey of 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine?
The InChIKey is SXKQTIURLIZBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(5-2-3-7-15-9)8(14)4-6-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine?
4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine is sourced from PubChem (CID 80683805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).