N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine

C14H13F3N2O — CID 106888261

IUPACN-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccncc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-5-6-18-8-11(12)13-4-3-10(20-13)7-19-9-1-2-9/h3-6,8-9,19H,1-2,7H2
InChIKeyVCBSHWXMOYWSHQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.61
Rot. Bonds4

About N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888261) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID106888261
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC NameN-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccncc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-5-6-18-8-11(12)13-4-3-10(20-13)7-19-9-1-2-9/h3-6,8-9,19H,1-2,7H2
InChIKeyVCBSHWXMOYWSHQ-UHFFFAOYSA-N
XLogP3.61
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine (CID 106888261) is N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine is FC(F)(F)c1ccncc1-c1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is VCBSHWXMOYWSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)12-5-6-18-8-11(12)13-4-3-10(20-13)7-19-9-1-2-9/h3-6,8-9,19H,1-2,7H2.
What are the key properties of N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 282.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).