N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine

C9H13F2NO — CID 103759862

IUPACN-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C(F)F
InChIInChI=1S/C9H13F2NO/c1-2-4-12-8(9(10)11)7-3-5-13-6-7/h3,5-6,8-9,12H,2,4H2,1H3
InChIKeyWPJDNYGTSFZJJW-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.59
Rot. Bonds5

About N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine

N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 103759862) has the molecular formula C9H13F2NO and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
PubChem CID103759862
Molecular FormulaC9H13F2NO
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C(F)F
InChIInChI=1S/C9H13F2NO/c1-2-4-12-8(9(10)11)7-3-5-13-6-7/h3,5-6,8-9,12H,2,4H2,1H3
InChIKeyWPJDNYGTSFZJJW-UHFFFAOYSA-N
XLogP2.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)-2,2-difluoroethyl]propan-1-amine
CID 80604825
N-[1-[3-(difluoromethyl)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 113329159
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 80605766
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105146718
N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine
CID 114030122
1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027176
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039717
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine (CID 103759862) is N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine is CCCNC(c1ccoc1)C(F)F.
What is the InChIKey of N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is WPJDNYGTSFZJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-2-4-12-8(9(10)11)7-3-5-13-6-7/h3,5-6,8-9,12H,2,4H2,1H3.
What are the key properties of N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine?
N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 189.21 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103759862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).