4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine

C10H18F3N — CID 104992617

IUPAC4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine
SMILESCC1(C(N)CCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3N/c1-9(5-2-3-6-9)8(14)4-7-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyZWWGOYOPNOTHAG-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.24
Rot. Bonds3

About 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine

4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine (PubChem CID 104992617) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine
PubChem CID104992617
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine
SMILESCC1(C(N)CCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3N/c1-9(5-2-3-6-9)8(14)4-7-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyZWWGOYOPNOTHAG-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-methylcyclopentyl)propan-1-amine
CID 114979259
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 116768604
2-(1-methylcyclobutyl)-1-(1-methylcyclopentyl)ethanamine
CID 130602100
1-(1-methylcyclohexyl)but-3-yn-1-amine
CID 106829766
4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 116766176
1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
CID 115849307
1-(1-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 115860707
1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol
CID 115808726
1,1,1,7,7,7-hexafluoroheptan-4-amine
CID 79954768
2-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 107893998
1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol
CID 103448224
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine (CID 104992617) is 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine is CC1(C(N)CCC(F)(F)F)CCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine?
The InChIKey is ZWWGOYOPNOTHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-9(5-2-3-6-9)8(14)4-7-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine?
4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine is sourced from PubChem (CID 104992617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).