3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine

C14H12F5NO — CID 117048652

IUPAC3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
SMILESCC(CN)(Cc1ccco1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H12F5NO/c1-14(6-20,5-7-3-2-4-21-7)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,5-6,20H2,1H3
InChIKeyBVQDQZXTPNHBQP-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.43
Rot. Bonds4

About 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine

3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine (PubChem CID 117048652) has the molecular formula C14H12F5NO and a molecular weight of 305.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
PubChem CID117048652
Molecular FormulaC14H12F5NO
Molecular Weight305.25 g/mol
Exact Mass305.08
IUPAC Name3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
SMILESCC(CN)(Cc1ccco1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H12F5NO/c1-14(6-20,5-7-3-2-4-21-7)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,5-6,20H2,1H3
InChIKeyBVQDQZXTPNHBQP-UHFFFAOYSA-N
XLogP3.43
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.43
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

2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048648
2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048660
2-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048662
2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile
CID 117048670
3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine
CID 117048678
3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol
CID 65392790
2-(2,2,2-trifluoroethyl)furan
CID 67627445
2-fluoro-3-(furan-2-yl)-2-phenylpropan-1-amine
CID 112566397
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
2-(furan-2-ylmethoxy)-2-methylpropan-1-amine
CID 62355609
2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
CID 117048637
2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048527

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine (CID 117048652) is 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine is CC(CN)(Cc1ccco1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine?
The InChIKey is BVQDQZXTPNHBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5NO/c1-14(6-20,5-7-3-2-4-21-7)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,5-6,20H2,1H3.
What are the key properties of 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine?
3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine has a molecular weight of 305.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine is sourced from PubChem (CID 117048652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).