1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine

C7H13F2N — CID 84763136

IUPAC1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine
SMILESNC1(CC(CF)CF)CC1
InChIInChI=1S/C7H13F2N/c8-4-6(5-9)3-7(10)1-2-7/h6H,1-5,10H2
InChIKeyQNKSYBHFHOOAGJ-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.42
Rot. Bonds4

About 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine

1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine (PubChem CID 84763136) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine
PubChem CID84763136
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine
SMILESNC1(CC(CF)CF)CC1
InChIInChI=1S/C7H13F2N/c8-4-6(5-9)3-7(10)1-2-7/h6H,1-5,10H2
InChIKeyQNKSYBHFHOOAGJ-UHFFFAOYSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(fluoromethyl)-4-methylpentyl]cyclopropan-1-amine
CID 105435639
1-(2,3,3,3-tetrafluoropropyl)cyclopropan-1-amine
CID 84731893
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-cyclopentyl-3-fluoropropyl)cyclopropan-1-amine
CID 105441793
1-(2-cyclopropyl-2-fluoroethyl)cyclopropan-1-amine
CID 105428494
1-(2,2-difluoroethyl)cyclobutan-1-amine
CID 115011284
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979
1-(2-cyclobutyl-2-fluoroethyl)cyclopropan-1-amine
CID 105430744
1-(bromomethyl)cyclopropan-1-amine
CID 114401684
1,4-bis(bromomethyl)cyclohexane-1,4-diamine
CID 91622714
1-(2,4-dimethylpentyl)cyclopropan-1-amine
CID 83682066
1-(2-cyclohexyl-2-fluoroethyl)cyclopropan-1-amine
CID 105441814

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine (CID 84763136) is 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine is NC1(CC(CF)CF)CC1.
What is the InChIKey of 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine?
The InChIKey is QNKSYBHFHOOAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c8-4-6(5-9)3-7(10)1-2-7/h6H,1-5,10H2.
What are the key properties of 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine?
1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine is sourced from PubChem (CID 84763136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).