cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C13H20F3NO — CID 124834368

IUPACcis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)[C@@H]1CCCC[C@@H]1NC[C@H]1CCC=CO1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11-6-1-2-7-12(11)17-9-10-5-3-4-8-18-10/h4,8,10-12,17H,1-3,5-7,9H2/t10-,11-,12+/m1/s1
InChIKeyOVMTXBDKVCLWTK-UTUOFQBUSA-N
MW263.30 g/mol
LogP3.39
Rot. Bonds3

About cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine

cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 124834368) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID124834368
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Namecis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)[C@@H]1CCCC[C@@H]1NC[C@H]1CCC=CO1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11-6-1-2-7-12(11)17-9-10-5-3-4-8-18-10/h4,8,10-12,17H,1-3,5-7,9H2/t10-,11-,12+/m1/s1
InChIKeyOVMTXBDKVCLWTK-UTUOFQBUSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 55030786
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 62064403
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 62066546
cis-(1S,2R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 94343015
trans-(1R,2R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 94343016
N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 114183635
trans-(1R,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124834367
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 55030544
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethylcyclohexan-1-amine
CID 62064724
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine
CID 62064761
2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 62064921
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine
CID 62064943

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 124834368) is cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)[C@@H]1CCCC[C@@H]1NC[C@H]1CCC=CO1.
What is the InChIKey of cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OVMTXBDKVCLWTK-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)11-6-1-2-7-12(11)17-9-10-5-3-4-8-18-10/h4,8,10-12,17H,1-3,5-7,9H2/t10-,11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 263.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 124834368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).