2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine

C14H25F2NO — CID 114224277

IUPAC2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCC1CCCC(F)(F)C1
InChIInChI=1S/C14H25F2NO/c1-17-12-6-2-3-7-13(12)18-10-11-5-4-8-14(15,16)9-11/h11-13,17H,2-10H2,1H3
InChIKeyVHCQCOUQYRRJQV-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.36
Rot. Bonds4

About 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine

2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine (PubChem CID 114224277) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine
PubChem CID114224277
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCC1CCCC(F)(F)C1
InChIInChI=1S/C14H25F2NO/c1-17-12-6-2-3-7-13(12)18-10-11-5-4-8-14(15,16)9-11/h11-13,17H,2-10H2,1H3
InChIKeyVHCQCOUQYRRJQV-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine (CID 114224277) is 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine is CNC1CCCCC1OCC1CCCC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine?
The InChIKey is VHCQCOUQYRRJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-17-12-6-2-3-7-13(12)18-10-11-5-4-8-14(15,16)9-11/h11-13,17H,2-10H2,1H3.
What are the key properties of 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine?
2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 114224277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).