1-cyclopropyl-3-fluorobutan-2-amine

C7H14FN — CID 84648134

IUPAC1-cyclopropyl-3-fluorobutan-2-amine
SMILESCC(F)C(N)CC1CC1
InChIInChI=1S/C7H14FN/c1-5(8)7(9)4-6-2-3-6/h5-7H,2-4,9H2,1H3
InChIKeyUXUIDYOUMOKBBZ-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.47
Rot. Bonds3

About 1-cyclopropyl-3-fluorobutan-2-amine

1-cyclopropyl-3-fluorobutan-2-amine (PubChem CID 84648134) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 1-cyclopropyl-3-fluorobutan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-fluorobutan-2-amine
PubChem CID84648134
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name1-cyclopropyl-3-fluorobutan-2-amine
SMILESCC(F)C(N)CC1CC1
InChIInChI=1S/C7H14FN/c1-5(8)7(9)4-6-2-3-6/h5-7H,2-4,9H2,1H3
InChIKeyUXUIDYOUMOKBBZ-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-3-fluorobutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-3-fluorobutan-2-amine
CID 84649039
1-cyclopropyl-3-methylpentan-2-amine
CID 64904257
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
CID 104575536
1-cyclopropyl-4-methylpentan-2-amine
CID 62753020
1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine
CID 84737021
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
[4-(1-fluoroethyl)cyclohexyl]methanamine
CID 84764155
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
1,4-bis(2-fluorobutyl)cyclohexane
CID 91135267
4-(2,2-difluoroethyl)cyclohexan-1-amine
CID 84716905
(2R)-1-cyclobutylpropan-2-amine
CID 124506916

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-fluorobutan-2-amine?
The IUPAC name of 1-cyclopropyl-3-fluorobutan-2-amine (CID 84648134) is 1-cyclopropyl-3-fluorobutan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-fluorobutan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-fluorobutan-2-amine is CC(F)C(N)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-fluorobutan-2-amine?
The InChIKey is UXUIDYOUMOKBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-5(8)7(9)4-6-2-3-6/h5-7H,2-4,9H2,1H3.
What are the key properties of 1-cyclopropyl-3-fluorobutan-2-amine?
1-cyclopropyl-3-fluorobutan-2-amine has a molecular weight of 131.19 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-fluorobutan-2-amine is sourced from PubChem (CID 84648134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).