1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine

C9H17F2N — CID 80604580

IUPAC1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1(C(F)F)CCCC1C
InChIInChI=1S/C9H17F2N/c1-3-12-9(8(10)11)6-4-5-7(9)2/h7-8,12H,3-6H2,1-2H3
InChIKeyXKQSDIKTLODQJP-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds3

About 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine

1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 80604580) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID80604580
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1(C(F)F)CCCC1C
InChIInChI=1S/C9H17F2N/c1-3-12-9(8(10)11)6-4-5-7(9)2/h7-8,12H,3-6H2,1-2H3
InChIKeyXKQSDIKTLODQJP-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine (CID 80604580) is 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine is CCNC1(C(F)F)CCCC1C.
What is the InChIKey of 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is XKQSDIKTLODQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-3-12-9(8(10)11)6-4-5-7(9)2/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine?
1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 80604580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).