1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine

C10H19F2N — CID 67531879

IUPAC1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine
SMILESCC(C)(N)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-9(2,13)7-8-3-5-10(11,12)6-4-8/h8H,3-7,13H2,1-2H3
InChIKeyBSZCGOSOQKTSDJ-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.94
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine

1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine (PubChem CID 67531879) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine
PubChem CID67531879
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine
SMILESCC(C)(N)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-9(2,13)7-8-3-5-10(11,12)6-4-8/h8H,3-7,13H2,1-2H3
InChIKeyBSZCGOSOQKTSDJ-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine (CID 67531879) is 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine is CC(C)(N)CC1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine?
The InChIKey is BSZCGOSOQKTSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-9(2,13)7-8-3-5-10(11,12)6-4-8/h8H,3-7,13H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine?
1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-methylpropan-2-amine is sourced from PubChem (CID 67531879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).