3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine

C16H21F4N — CID 107290266

IUPAC3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2ccc(C(F)(F)F)c(F)c2)C1C
InChIInChI=1S/C16H21F4N/c1-3-8-21-15-7-5-12(10(15)2)11-4-6-13(14(17)9-11)16(18,19)20/h4,6,9-10,12,15,21H,3,5,7-8H2,1-2H3
InChIKeyDOYPMXWIQCCIHV-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.73
Rot. Bonds4

About 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine

3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 107290266) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine
PubChem CID107290266
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2ccc(C(F)(F)F)c(F)c2)C1C
InChIInChI=1S/C16H21F4N/c1-3-8-21-15-7-5-12(10(15)2)11-4-6-13(14(17)9-11)16(18,19)20/h4,6,9-10,12,15,21H,3,5,7-8H2,1-2H3
InChIKeyDOYPMXWIQCCIHV-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine (CID 107290266) is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(c2ccc(C(F)(F)F)c(F)c2)C1C.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is DOYPMXWIQCCIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-3-8-21-15-7-5-12(10(15)2)11-4-6-13(14(17)9-11)16(18,19)20/h4,6,9-10,12,15,21H,3,5,7-8H2,1-2H3.
What are the key properties of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine?
3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 303.34 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 107290266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).