(Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine

C10H18F2N2 — CID 153188643

IUPAC(Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine
SMILESCN/C=C(\N)C1(C(C)C)CC(F)(F)C1
InChIInChI=1S/C10H18F2N2/c1-7(2)9(8(13)4-14-3)5-10(11,12)6-9/h4,7,14H,5-6,13H2,1-3H3/b8-4-
InChIKeyWHOUHJFFACOGLS-YWEYNIOJSA-N
MW204.26 g/mol
LogP2.08
Rot. Bonds3

About (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine

(Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine (PubChem CID 153188643) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine
PubChem CID153188643
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name(Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine
SMILESCN/C=C(\N)C1(C(C)C)CC(F)(F)C1
InChIInChI=1S/C10H18F2N2/c1-7(2)9(8(13)4-14-3)5-10(11,12)6-9/h4,7,14H,5-6,13H2,1-3H3/b8-4-
InChIKeyWHOUHJFFACOGLS-YWEYNIOJSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine?
The IUPAC name of (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine (CID 153188643) is (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine.
What is the SMILES notation for (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine?
The canonical SMILES for (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine is CN/C=C(\N)C1(C(C)C)CC(F)(F)C1.
What is the InChIKey of (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine?
The InChIKey is WHOUHJFFACOGLS-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-7(2)9(8(13)4-14-3)5-10(11,12)6-9/h4,7,14H,5-6,13H2,1-3H3/b8-4-.
What are the key properties of (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine?
(Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine has a molecular weight of 204.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,3-difluoro-1-propan-2-ylcyclobutyl)-N'-methylethene-1,2-diamine is sourced from PubChem (CID 153188643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).