(1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine

C10H15F2NO — CID 58735949

IUPAC(1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine
SMILESCC(C)c1coc([C@H](N)C(C)(F)F)c1
InChIInChI=1S/C10H15F2NO/c1-6(2)7-4-8(14-5-7)9(13)10(3,11)12/h4-6,9H,13H2,1-3H3/t9-/m0/s1
InChIKeyPLJCEHZPCWZZEN-VIFPVBQESA-N
MW203.23 g/mol
LogP3.06
Rot. Bonds3

About (1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine

(1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine (PubChem CID 58735949) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine
PubChem CID58735949
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name(1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine
SMILESCC(C)c1coc([C@H](N)C(C)(F)F)c1
InChIInChI=1S/C10H15F2NO/c1-6(2)7-4-8(14-5-7)9(13)10(3,11)12/h4-6,9H,13H2,1-3H3/t9-/m0/s1
InChIKeyPLJCEHZPCWZZEN-VIFPVBQESA-N
XLogP3.06
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine?
The IUPAC name of (1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine (CID 58735949) is (1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine is CC(C)c1coc([C@H](N)C(C)(F)F)c1.
What is the InChIKey of (1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine?
The InChIKey is PLJCEHZPCWZZEN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15F2NO/c1-6(2)7-4-8(14-5-7)9(13)10(3,11)12/h4-6,9H,13H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine?
(1S)-2,2-difluoro-1-(4-propan-2-ylfuran-2-yl)propan-1-amine has a molecular weight of 203.23 g/mol, XLogP of 3.06, 3 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-(4-propan-2-ylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 58735949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).