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

C12H18F3NO — CID 102653653

IUPAC2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3NO/c13-12(14,15)9-5-2-1-4-8(9)11(16)10-6-3-7-17-10/h6,8-9,11H,1-5,7,16H2
InChIKeyIGHHAOZZFQFDMQ-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.99
Rot. Bonds2

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

2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 102653653) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID102653653
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3NO/c13-12(14,15)9-5-2-1-4-8(9)11(16)10-6-3-7-17-10/h6,8-9,11H,1-5,7,16H2
InChIKeyIGHHAOZZFQFDMQ-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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Related Compounds

N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648765
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649495
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649615
[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102650340
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898
N-[2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102652911
N-[2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102653006
N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102653035
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102653077
N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102653093

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 102653653) is 2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine is NC(C1=CCCO1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is IGHHAOZZFQFDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c13-12(14,15)9-5-2-1-4-8(9)11(16)10-6-3-7-17-10/h6,8-9,11H,1-5,7,16H2.
What are the key properties of 2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
2,3-dihydrofuran-5-yl-[2-(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-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 102653653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).