1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine

C9H17F2N — CID 106664139

IUPAC1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1(N)C(F)F
InChIInChI=1S/C9H17F2N/c1-6-4-8(2,3)5-9(6,12)7(10)11/h6-7H,4-5,12H2,1-3H3
InChIKeyMCRSAMIAXPESBG-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.41
Rot. Bonds1

About 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine

1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106664139) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106664139
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1(N)C(F)F
InChIInChI=1S/C9H17F2N/c1-6-4-8(2,3)5-9(6,12)7(10)11/h6-7H,4-5,12H2,1-3H3
InChIKeyMCRSAMIAXPESBG-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine (CID 106664139) is 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine is CC1CC(C)(C)CC1(N)C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is MCRSAMIAXPESBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-6-4-8(2,3)5-9(6,12)7(10)11/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine?
1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 177.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106664139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).