3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine

C8H11F6NO — CID 103311932

IUPAC3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CCOC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c9-7(10,11)6(8(12,13)14)5(15)4-1-2-16-3-4/h4-6H,1-3,15H2
InChIKeyYCFJRJITVHSGMV-UHFFFAOYSA-N
MW251.17 g/mol
LogP2.09
Rot. Bonds2

About 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103311932) has the molecular formula C8H11F6NO and a molecular weight of 251.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103311932
Molecular FormulaC8H11F6NO
Molecular Weight251.17 g/mol
Exact Mass251.07
IUPAC Name3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CCOC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c9-7(10,11)6(8(12,13)14)5(15)4-1-2-16-3-4/h4-6H,1-3,15H2
InChIKeyYCFJRJITVHSGMV-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
CID 155821044
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105147621
cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148093
2,2-difluoro-1-(oxan-4-yl)ethanamine
CID 80604527
(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479
(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride
CID 155822311
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine
CID 102721958

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine (CID 103311932) is 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine is NC(C1CCOC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is YCFJRJITVHSGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO/c9-7(10,11)6(8(12,13)14)5(15)4-1-2-16-3-4/h4-6H,1-3,15H2.
What are the key properties of 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 251.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103311932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).