3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine

C13H20F3NO — CID 105179426

IUPAC3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=COCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(17)10-2-1-7-18-8-10/h8-9,11-12H,1-7,17H2
InChIKeyQWSMDBDQVXHLKQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.38
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine

3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105179426) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105179426
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=COCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(17)10-2-1-7-18-8-10/h8-9,11-12H,1-7,17H2
InChIKeyQWSMDBDQVXHLKQ-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluorobutan-1-amine
CID 104059226
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179251
N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179253
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179285
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105179333
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105179349
N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179364
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105179375
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105179389
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179402
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105179435

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105179426) is 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine is NC(C1=COCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is QWSMDBDQVXHLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(17)10-2-1-7-18-8-10/h8-9,11-12H,1-7,17H2.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 263.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105179426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).