4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine

C10H19F2N — CID 58799781

IUPAC4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(C)CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-8(2)13-9(3)4-6-10(11,12)7-5-9/h8,13H,4-7H2,1-3H3
InChIKeyJHYFUIOTVZGEFQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.95
Rot. Bonds2

About 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine

4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 58799781) has the molecular formula C10H19F2N and a molecular weight of 191.27 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID58799781
Molecular FormulaC10H19F2N
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(C)CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-8(2)13-9(3)4-6-10(11,12)7-5-9/h8,13H,4-7H2,1-3H3
InChIKeyJHYFUIOTVZGEFQ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine (CID 58799781) is 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1(C)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is JHYFUIOTVZGEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)13-9(3)4-6-10(11,12)7-5-9/h8,13H,4-7H2,1-3H3.
What are the key properties of 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine?
4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 58799781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).