N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine

C10H19F2N — CID 106662695

IUPACN-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCC(F)F
InChIInChI=1S/C10H19F2N/c1-7-4-10(2,3)5-8(7)13-6-9(11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyJWAIUWQUMOOEDF-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.67
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine

N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106662695) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106662695
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC NameN-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCC(F)F
InChIInChI=1S/C10H19F2N/c1-7-4-10(2,3)5-8(7)13-6-9(11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyJWAIUWQUMOOEDF-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine (CID 106662695) is N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine is CC1CC(C)(C)CC1NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is JWAIUWQUMOOEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-7-4-10(2,3)5-8(7)13-6-9(11)12/h7-9,13H,4-6H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine?
N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 191.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106662695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).