1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine

C8H13F2N — CID 105431584

IUPAC1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine
SMILESNC1(C(C(F)F)C2CC2)CC1
InChIInChI=1S/C8H13F2N/c9-7(10)6(5-1-2-5)8(11)3-4-8/h5-7H,1-4,11H2
InChIKeyHALVNPHRMXYAPW-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.77
Rot. Bonds3

About 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine

1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine (PubChem CID 105431584) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine
PubChem CID105431584
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine
SMILESNC1(C(C(F)F)C2CC2)CC1
InChIInChI=1S/C8H13F2N/c9-7(10)6(5-1-2-5)8(11)3-4-8/h5-7H,1-4,11H2
InChIKeyHALVNPHRMXYAPW-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine
CID 105436095
1-(2-cyclopentyl-1-fluoroethyl)cyclopropan-1-amine
CID 105434876
1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
CID 91663075
1-(2-cyclopropyl-2-fluoroethyl)cyclopropan-1-amine
CID 105428494
1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine
CID 105446877
1-(1-cyclohexyl-2-fluoroethyl)cyclopropan-1-amine
CID 105441790
1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine
CID 141199870
1-[bis(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine
CID 57074798
1-(1-cyclobutyl-2-fluoro-2-methylpropyl)cyclopropan-1-amine
CID 105441788
1-(difluoromethyl)-3-ethylcyclopentan-1-amine
CID 80605012
1-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]cyclopropan-1-amine
CID 84734404
1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine
CID 105471508

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine?
The IUPAC name of 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine (CID 105431584) is 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine is NC1(C(C(F)F)C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine?
The InChIKey is HALVNPHRMXYAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-7(10)6(5-1-2-5)8(11)3-4-8/h5-7H,1-4,11H2.
What are the key properties of 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine?
1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine has a molecular weight of 161.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,2-difluoroethyl)cyclopropan-1-amine is sourced from PubChem (CID 105431584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).