1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine

C10H20F2N2 — CID 155571552

IUPAC1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNC(C)CCN(C)C1CC(F)(F)C1
InChIInChI=1S/C10H20F2N2/c1-8(13-2)4-5-14(3)9-6-10(11,12)7-9/h8-9,13H,4-7H2,1-3H3
InChIKeyHKPKVOYGVVIXFO-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.71
Rot. Bonds5

About 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine

1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 155571552) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID155571552
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNC(C)CCN(C)C1CC(F)(F)C1
InChIInChI=1S/C10H20F2N2/c1-8(13-2)4-5-14(3)9-6-10(11,12)7-9/h8-9,13H,4-7H2,1-3H3
InChIKeyHKPKVOYGVVIXFO-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine (CID 155571552) is 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine is CNC(C)CCN(C)C1CC(F)(F)C1.
What is the InChIKey of 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is HKPKVOYGVVIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8(13-2)4-5-14(3)9-6-10(11,12)7-9/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine?
1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 206.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3-difluorocyclobutyl)-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 155571552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).