1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine

C13H21F2NO — CID 105179389

IUPAC1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNC(C1=COCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO/c1-16-12(11-3-2-8-17-9-11)10-4-6-13(14,15)7-5-10/h9-10,12,16H,2-8H2,1H3
InChIKeyKMNFBZCMBGCTOG-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.09
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine

1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine (PubChem CID 105179389) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
PubChem CID105179389
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNC(C1=COCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO/c1-16-12(11-3-2-8-17-9-11)10-4-6-13(14,15)7-5-10/h9-10,12,16H,2-8H2,1H3
InChIKeyKMNFBZCMBGCTOG-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312261
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104058658
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 104058659
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 104058660
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104059227
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104059228
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104059229
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

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine (CID 105179389) is 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine is CNC(C1=COCCC1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The InChIKey is KMNFBZCMBGCTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c1-16-12(11-3-2-8-17-9-11)10-4-6-13(14,15)7-5-10/h9-10,12,16H,2-8H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine has a molecular weight of 245.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105179389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).