1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine

C12H19F2NO — CID 102652898

IUPAC1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO/c1-15-11(10-3-2-8-16-10)9-4-6-12(13,14)7-5-9/h3,9,11,15H,2,4-8H2,1H3
InChIKeyNHEVMOFMTAUYDE-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.70
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine

1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine (PubChem CID 102652898) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
PubChem CID102652898
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO/c1-15-11(10-3-2-8-16-10)9-4-6-12(13,14)7-5-9/h3,9,11,15H,2,4-8H2,1H3
InChIKeyNHEVMOFMTAUYDE-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine (CID 102652898) is 1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine is CNC(C1=CCCO1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The InChIKey is NHEVMOFMTAUYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c1-15-11(10-3-2-8-16-10)9-4-6-12(13,14)7-5-9/h3,9,11,15H,2,4-8H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine has a molecular weight of 231.29 g/mol, XLogP of 2.70, 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-(2,3-dihydrofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 102652898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).