1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine

C9H13F2NO — CID 102869882

IUPAC1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
SMILESCC(N[C@H](C)c1ccco1)C(F)F
InChIInChI=1S/C9H13F2NO/c1-6(8-4-3-5-13-8)12-7(2)9(10)11/h3-7,9,12H,1-2H3/t6-,7?/m1/s1
InChIKeyNMBWGHPAQPURMN-ULUSZKPHSA-N
MW189.21 g/mol
LogP2.58
Rot. Bonds4

About 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine

1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine (PubChem CID 102869882) has the molecular formula C9H13F2NO and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
PubChem CID102869882
Molecular FormulaC9H13F2NO
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
SMILESCC(N[C@H](C)c1ccco1)C(F)F
InChIInChI=1S/C9H13F2NO/c1-6(8-4-3-5-13-8)12-7(2)9(10)11/h3-7,9,12H,1-2H3/t6-,7?/m1/s1
InChIKeyNMBWGHPAQPURMN-ULUSZKPHSA-N
XLogP2.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115719150
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
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N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine (CID 102869882) is 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine is CC(N[C@H](C)c1ccco1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
The InChIKey is NMBWGHPAQPURMN-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-6(8-4-3-5-13-8)12-7(2)9(10)11/h3-7,9,12H,1-2H3/t6-,7?/m1/s1.
What are the key properties of 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine has a molecular weight of 189.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 102869882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).