N-(3,3,3-trifluoropropyl)oxan-4-amine

C8H14F3NO — CID 63225984

IUPACN-(3,3,3-trifluoropropyl)oxan-4-amine
SMILESFC(F)(F)CCNC1CCOCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-4-12-7-1-5-13-6-2-7/h7,12H,1-6H2
InChIKeyTWGJJIUECVVHLD-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)oxan-4-amine

N-(3,3,3-trifluoropropyl)oxan-4-amine (PubChem CID 63225984) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)oxan-4-amine
PubChem CID63225984
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-(3,3,3-trifluoropropyl)oxan-4-amine
SMILESFC(F)(F)CCNC1CCOCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-4-12-7-1-5-13-6-2-7/h7,12H,1-6H2
InChIKeyTWGJJIUECVVHLD-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)oxan-4-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)oxan-4-amine (CID 63225984) is N-(3,3,3-trifluoropropyl)oxan-4-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)oxan-4-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)oxan-4-amine is FC(F)(F)CCNC1CCOCC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)oxan-4-amine?
The InChIKey is TWGJJIUECVVHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)3-4-12-7-1-5-13-6-2-7/h7,12H,1-6H2.
What are the key properties of N-(3,3,3-trifluoropropyl)oxan-4-amine?
N-(3,3,3-trifluoropropyl)oxan-4-amine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)oxan-4-amine is sourced from PubChem (CID 63225984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).