2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine

C12H18F3NO — CID 102653422

IUPAC2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h2,8-9,11H,1,3-7,16H2
InChIKeyPOHQCWSMVHYSAG-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.99
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine

2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 102653422) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID102653422
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h2,8-9,11H,1,3-7,16H2
InChIKeyPOHQCWSMVHYSAG-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 102653422) is 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine is NC(C1=CCCO1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is POHQCWSMVHYSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h2,8-9,11H,1,3-7,16H2.
What are the key properties of 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 249.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 102653422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).