1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine

C12H21F2NO — CID 105147667

IUPAC1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(C1CCC(F)(F)CC1)C1CCOC1
InChIInChI=1S/C12H21F2NO/c1-15-11(10-4-7-16-8-10)9-2-5-12(13,14)6-3-9/h9-11,15H,2-8H2,1H3
InChIKeyYXVHQEUQHFFSRV-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.44
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine

1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 105147667) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID105147667
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(C1CCC(F)(F)CC1)C1CCOC1
InChIInChI=1S/C12H21F2NO/c1-15-11(10-4-7-16-8-10)9-2-5-12(13,14)6-3-9/h9-11,15H,2-8H2,1H3
InChIKeyYXVHQEUQHFFSRV-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.44
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)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 105147667) is 1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine is CNC(C1CCC(F)(F)CC1)C1CCOC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is YXVHQEUQHFFSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-15-11(10-4-7-16-8-10)9-2-5-12(13,14)6-3-9/h9-11,15H,2-8H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(4,4-difluorocyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 233.30 g/mol, XLogP of 2.44, 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)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 105147667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).