4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine

C10H19F2N — CID 66570365

IUPAC4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1(N)CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-8(2)7-9(13)3-5-10(11,12)6-4-9/h8H,3-7,13H2,1-2H3
InChIKeyKMUPKHJJOOASSS-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.94
Rot. Bonds2

About 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine

4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 66570365) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine
PubChem CID66570365
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1(N)CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-8(2)7-9(13)3-5-10(11,12)6-4-9/h8H,3-7,13H2,1-2H3
InChIKeyKMUPKHJJOOASSS-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 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine (CID 66570365) is 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1(N)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is KMUPKHJJOOASSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)7-9(13)3-5-10(11,12)6-4-9/h8H,3-7,13H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine?
4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-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 4,4-difluoro-1-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 66570365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).