4-cyclopentyl-4-fluorobutan-2-amine

C9H18FN — CID 105431339

IUPAC4-cyclopentyl-4-fluorobutan-2-amine
SMILESCC(N)CC(F)C1CCCC1
InChIInChI=1S/C9H18FN/c1-7(11)6-9(10)8-4-2-3-5-8/h7-9H,2-6,11H2,1H3
InChIKeyUAZYBJQRSOHKII-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.25
Rot. Bonds3

About 4-cyclopentyl-4-fluorobutan-2-amine

4-cyclopentyl-4-fluorobutan-2-amine (PubChem CID 105431339) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-cyclopentyl-4-fluorobutan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-4-fluorobutan-2-amine
PubChem CID105431339
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name4-cyclopentyl-4-fluorobutan-2-amine
SMILESCC(N)CC(F)C1CCCC1
InChIInChI=1S/C9H18FN/c1-7(11)6-9(10)8-4-2-3-5-8/h7-9H,2-6,11H2,1H3
InChIKeyUAZYBJQRSOHKII-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoropropylcyclohexane
CID 175482470
2-cyclobutyl-2-fluoroethanamine
CID 84716016
4-cyclohexyl-4-fluorobutan-2-one
CID 105435232
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
(2R)-2-cyclobutyl-2-fluoro-N-methylethanamine
CID 129462289
1-(2-cyclohexyl-2-fluoroethyl)cyclopropan-1-amine
CID 105441814
(4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine
CID 89058597
propane;propan-2-ylcyclopentane
CID 91615250
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
2-cyclohexylpentan-3-amine
CID 79308576
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-2-cyclobutyl-2-fluoroethanol
CID 129462304

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-4-fluorobutan-2-amine?
The IUPAC name of 4-cyclopentyl-4-fluorobutan-2-amine (CID 105431339) is 4-cyclopentyl-4-fluorobutan-2-amine.
What is the SMILES notation for 4-cyclopentyl-4-fluorobutan-2-amine?
The canonical SMILES for 4-cyclopentyl-4-fluorobutan-2-amine is CC(N)CC(F)C1CCCC1.
What is the InChIKey of 4-cyclopentyl-4-fluorobutan-2-amine?
The InChIKey is UAZYBJQRSOHKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(11)6-9(10)8-4-2-3-5-8/h7-9H,2-6,11H2,1H3.
What are the key properties of 4-cyclopentyl-4-fluorobutan-2-amine?
4-cyclopentyl-4-fluorobutan-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-4-fluorobutan-2-amine is sourced from PubChem (CID 105431339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).