(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine

C8H13F2NO — CID 89246179

IUPAC(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
SMILESCC1=CCC([C@H](N)C(C)(F)F)O1
InChIInChI=1S/C8H13F2NO/c1-5-3-4-6(12-5)7(11)8(2,9)10/h3,6-7H,4,11H2,1-2H3/t6?,7-/m0/s1
InChIKeyFSDAHXDLDBQOAR-MLWJPKLSSA-N
MW177.19 g/mol
LogP1.66
Rot. Bonds2

About (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine

(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine (PubChem CID 89246179) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
PubChem CID89246179
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
SMILESCC1=CCC([C@H](N)C(C)(F)F)O1
InChIInChI=1S/C8H13F2NO/c1-5-3-4-6(12-5)7(11)8(2,9)10/h3,6-7H,4,11H2,1-2H3/t6?,7-/m0/s1
InChIKeyFSDAHXDLDBQOAR-MLWJPKLSSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.66
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
(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine
CID 142810124
3,3,3-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142856948
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)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(2,3-Dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 102651351
1-(2,3-Dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine
CID 102651936
1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102651937
1-(2,3-Dihydrofuran-5-yl)-2,2-difluoropropan-1-amine
CID 130682532
(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine
CID 143076621
3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080457

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine?
The IUPAC name of (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine (CID 89246179) is (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine is CC1=CCC([C@H](N)C(C)(F)F)O1.
What is the InChIKey of (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine?
The InChIKey is FSDAHXDLDBQOAR-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-5-3-4-6(12-5)7(11)8(2,9)10/h3,6-7H,4,11H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine?
(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine has a molecular weight of 177.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine is sourced from PubChem (CID 89246179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).