2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine

C9H18FNO — CID 112567100

IUPAC2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine
SMILESCCCOCC(F)(CN)C1CC1
InChIInChI=1S/C9H18FNO/c1-2-5-12-7-9(10,6-11)8-3-4-8/h8H,2-7,11H2,1H3
InChIKeyLKQMFLUBCXQYEK-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds6

About 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine

2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine (PubChem CID 112567100) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine
PubChem CID112567100
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine
SMILESCCCOCC(F)(CN)C1CC1
InChIInChI=1S/C9H18FNO/c1-2-5-12-7-9(10,6-11)8-3-4-8/h8H,2-7,11H2,1H3
InChIKeyLKQMFLUBCXQYEK-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Cyclopropyl-3-methoxypropan-1-amine hydrochloride
CID 177801154
4-Methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine
CID 106705851
2-(2,2,2-Trifluoroethoxymethyl)pentan-1-amine
CID 106705852
2-Cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706192
2-Fluoro-3-methyl-2-(propoxymethyl)butan-1-amine
CID 112566785
2-(Ethoxymethyl)-2-fluoro-3-methylbutan-1-amine
CID 112566889
2-Cyclopropyl-2-fluoro-3-propan-2-yloxypropan-1-amine
CID 112567067
2-Cyclopropyl-2-fluoro-3-methoxypropan-1-amine
CID 112567149
2-Cyclopropyl-3-ethoxy-2-fluoropropan-1-amine
CID 112567205
2-Fluoro-2-(propan-2-yloxymethyl)pentan-1-amine
CID 112567693
2-Fluoro-2-(propoxymethyl)pentan-1-amine
CID 112567725
2-Fluoro-2-(methoxymethyl)pentan-1-amine
CID 112567773

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine (CID 112567100) is 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine is CCCOCC(F)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine?
The InChIKey is LKQMFLUBCXQYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-5-12-7-9(10,6-11)8-3-4-8/h8H,2-7,11H2,1H3.
What are the key properties of 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine?
2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-3-propoxypropan-1-amine is sourced from PubChem (CID 112567100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).