N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine

C14H14F5NO — CID 102653283

IUPACN-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H14F5NO/c1-2-5-20-14(7-4-3-6-21-7)8-9(15)11(17)13(19)12(18)10(8)16/h4,14,20H,2-3,5-6H2,1H3
InChIKeyAEKSAGWMNQKDAP-UHFFFAOYSA-N
MW307.26 g/mol
LogP3.73
Rot. Bonds5

About N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine

N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine (PubChem CID 102653283) has the molecular formula C14H14F5NO and a molecular weight of 307.26 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
PubChem CID102653283
Molecular FormulaC14H14F5NO
Molecular Weight307.26 g/mol
Exact Mass307.10
IUPAC NameN-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H14F5NO/c1-2-5-20-14(7-4-3-6-21-7)8-9(15)11(17)13(19)12(18)10(8)16/h4,14,20H,2-3,5-6H2,1H3
InChIKeyAEKSAGWMNQKDAP-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102651379
N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102653514
N-[2,3-dihydrofuran-5-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 102651984
N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455
N-[(5-bromo-2-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652310
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[(3,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647282
N-[2,3-dihydrofuran-5-yl-(6-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102653288
N-[2,3-dihydrofuran-5-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 102651581
N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 102651992
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine (CID 102653283) is N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine?
The InChIKey is AEKSAGWMNQKDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F5NO/c1-2-5-20-14(7-4-3-6-21-7)8-9(15)11(17)13(19)12(18)10(8)16/h4,14,20H,2-3,5-6H2,1H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine has a molecular weight of 307.26 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 102653283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).