3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine

C14H18F3N — CID 80705627

IUPAC3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3N/c1-12(2)6-7-13(18,9-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8H,6-7,9,18H2,1-2H3
InChIKeyXRWPDIGXOVZFDD-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.07
Rot. Bonds1

About 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine

3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine (PubChem CID 80705627) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
PubChem CID80705627
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3N/c1-12(2)6-7-13(18,9-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8H,6-7,9,18H2,1-2H3
InChIKeyXRWPDIGXOVZFDD-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine (CID 80705627) is 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine is CC1(C)CCC(N)(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The InChIKey is XRWPDIGXOVZFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-12(2)6-7-13(18,9-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8H,6-7,9,18H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine?
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 80705627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).