1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine

C10H17F2N — CID 105443649

IUPAC1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine
SMILESCC(F)(F)C(CC1(N)CC1)C1CC1
InChIInChI=1S/C10H17F2N/c1-9(11,12)8(7-2-3-7)6-10(13)4-5-10/h7-8H,2-6,13H2,1H3
InChIKeyVLSAZTKTYGSLBS-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine

1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine (PubChem CID 105443649) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine
PubChem CID105443649
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine
SMILESCC(F)(F)C(CC1(N)CC1)C1CC1
InChIInChI=1S/C10H17F2N/c1-9(11,12)8(7-2-3-7)6-10(13)4-5-10/h7-8H,2-6,13H2,1H3
InChIKeyVLSAZTKTYGSLBS-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine
CID 105441791
1-(2-cyclopropyl-2-fluoroethyl)cyclopropan-1-amine
CID 105428494
1-(2,3,3,3-tetrafluoropropyl)cyclopropan-1-amine
CID 84731893
1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine
CID 105436095
1-(2-cyclobutyl-2-fluoroethyl)cyclopropan-1-amine
CID 105430744
1-(2-cyclohexyl-2-fluoroethyl)cyclopropan-1-amine
CID 105441814
1-(2-cyclopentyl-3-fluoropropyl)cyclopropan-1-amine
CID 105441793
1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine
CID 105471508
1-[3-fluoro-2-(fluoromethyl)propyl]cyclopropan-1-amine
CID 84763136
1-(4-fluoro-3,4-dimethylpentyl)cyclopropan-1-amine
CID 105435649
(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine
CID 104941345
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine (CID 105443649) is 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine is CC(F)(F)C(CC1(N)CC1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine?
The InChIKey is VLSAZTKTYGSLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-9(11,12)8(7-2-3-7)6-10(13)4-5-10/h7-8H,2-6,13H2,1H3.
What are the key properties of 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine?
1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-3,3-difluorobutyl)cyclopropan-1-amine is sourced from PubChem (CID 105443649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).