3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine

C10H19F2N — CID 123247784

IUPAC3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine
SMILESCNC1(C)CC(C)(C)CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-8(2)5-9(3,13-4)7-10(11,12)6-8/h13H,5-7H2,1-4H3
InChIKeyAZQAOOLYFYFWDH-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.81
Rot. Bonds1

About 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine

3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine (PubChem CID 123247784) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine
PubChem CID123247784
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine
SMILESCNC1(C)CC(C)(C)CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-8(2)5-9(3,13-4)7-10(11,12)6-8/h13H,5-7H2,1-4H3
InChIKeyAZQAOOLYFYFWDH-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine (CID 123247784) is 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine is CNC1(C)CC(C)(C)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is AZQAOOLYFYFWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)5-9(3,13-4)7-10(11,12)6-8/h13H,5-7H2,1-4H3.
What are the key properties of 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine?
3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 191.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,1,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 123247784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).