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

C13H15F4N — CID 107290018

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4N/c1-18-12-4-2-3-9(12)8-5-6-10(11(14)7-8)13(15,16)17/h5-7,9,12,18H,2-4H2,1H3
InChIKeyKMGSSYLPFGSUAX-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.70
Rot. Bonds2

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

2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine (PubChem CID 107290018) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
PubChem CID107290018
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4N/c1-18-12-4-2-3-9(12)8-5-6-10(11(14)7-8)13(15,16)17/h5-7,9,12,18H,2-4H2,1H3
InChIKeyKMGSSYLPFGSUAX-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine
CID 107290013
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 113338650
2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
CID 62801613
N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 107290780
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 107290684
cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 94869351
3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine
CID 107290266
2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine
CID 114605834
2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 107289990
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
CID 62801780
3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 103852553
N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine
CID 62965835

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine (CID 107290018) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine is CNC1CCCC1c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine?
The InChIKey is KMGSSYLPFGSUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c1-18-12-4-2-3-9(12)8-5-6-10(11(14)7-8)13(15,16)17/h5-7,9,12,18H,2-4H2,1H3.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 107290018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).