4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine

C12H23F2N — CID 58818490

IUPAC4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine
SMILESCC(C)NC1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C12H23F2N/c1-9(2)11(15-10(3)4)5-7-12(13,14)8-6-11/h9-10,15H,5-8H2,1-4H3
InChIKeyMAQOAAWONBWBJO-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.59
Rot. Bonds3

About 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine

4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine (PubChem CID 58818490) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine
PubChem CID58818490
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine
SMILESCC(C)NC1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C12H23F2N/c1-9(2)11(15-10(3)4)5-7-12(13,14)8-6-11/h9-10,15H,5-8H2,1-4H3
InChIKeyMAQOAAWONBWBJO-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine (CID 58818490) is 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine is CC(C)NC1(C(C)C)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine?
The InChIKey is MAQOAAWONBWBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-9(2)11(15-10(3)4)5-7-12(13,14)8-6-11/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine?
4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine has a molecular weight of 219.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 58818490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).