1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine

C8H12F3NO — CID 102651936

IUPAC1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h2,6H,1,3-5,12H2
InChIKeyPNLXXBUZSBNQSC-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.96
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine

1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 102651936) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID102651936
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h2,6H,1,3-5,12H2
InChIKeyPNLXXBUZSBNQSC-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-fluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 70658442
2,2-Difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine
CID 89205781
(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89246179
(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine
CID 142810124
(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810445
3,3,3-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142856948
ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
CID 142883593
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanamine
CID 102649431
1-(2,3-Dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 102651351

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine (CID 102651936) is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is PNLXXBUZSBNQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h2,6H,1,3-5,12H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine?
1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 195.18 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 102651936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).