(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

C12H19F2NO — CID 102649150

IUPAC(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO/c13-12(14)6-4-9(5-7-12)11(15)10-3-1-2-8-16-10/h3,9,11H,1-2,4-8,15H2
InChIKeyQVPHCSNJFSPDTI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.83
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102649150) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102649150
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO/c13-12(14)6-4-9(5-7-12)11(15)10-3-1-2-8-16-10/h3,9,11H,1-2,4-8,15H2
InChIKeyQVPHCSNJFSPDTI-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102649150) is (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is QVPHCSNJFSPDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c13-12(14)6-4-9(5-7-12)11(15)10-3-1-2-8-16-10/h3,9,11H,1-2,4-8,15H2.
What are the key properties of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 231.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102649150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).