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

C8H7F6NO — CID 103309644

IUPAC3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine
SMILESNC(c1ccco1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6NO/c9-7(10,11)6(8(12,13)14)5(15)4-2-1-3-16-4/h1-3,5-6H,15H2
InChIKeyDIZJRNZUZMTCTA-UHFFFAOYSA-N
MW247.14 g/mol
LogP3.02
Rot. Bonds2

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

3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309644) has the molecular formula C8H7F6NO and a molecular weight of 247.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103309644
Molecular FormulaC8H7F6NO
Molecular Weight247.14 g/mol
Exact Mass247.04
IUPAC Name3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine
SMILESNC(c1ccco1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6NO/c9-7(10,11)6(8(12,13)14)5(15)4-2-1-3-16-4/h1-3,5-6H,15H2
InChIKeyDIZJRNZUZMTCTA-UHFFFAOYSA-N
XLogP3.02
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139
(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride
CID 131879129
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
CID 7171782
(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
CID 130700545
2,2-difluoro-1,3-bis(furan-2-yl)propane-1,3-diol
CID 10105858
2-ethyl-1-(furan-2-yl)-3-methylbutan-1-amine
CID 82408122
furan-2-yl(pyrimidin-2-yl)methanamine
CID 63949375
furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628600
2-amino-2-(furan-2-yl)ethanol
CID 54048773
(3S)-4,4,4-trifluoro-3-(furan-2-yl)butanoic acid
CID 129375360
2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-amine
CID 64770505
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine (CID 103309644) is 3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine is NC(c1ccco1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is DIZJRNZUZMTCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6NO/c9-7(10,11)6(8(12,13)14)5(15)4-2-1-3-16-4/h1-3,5-6H,15H2.
What are the key properties of 3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 247.14 g/mol, XLogP of 3.02, 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-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).