3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine

C14H20F2N2 — CID 79352222

IUPAC3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine
SMILESCC1(C)C(CNc2c(N)ccc(F)c2F)C1(C)C
InChIInChI=1S/C14H20F2N2/c1-13(2)10(14(13,3)4)7-18-12-9(17)6-5-8(15)11(12)16/h5-6,10,18H,7,17H2,1-4H3
InChIKeyKVONKEXKEPSYKS-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.64
Rot. Bonds3

About 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine

3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine (PubChem CID 79352222) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine
PubChem CID79352222
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine
SMILESCC1(C)C(CNc2c(N)ccc(F)c2F)C1(C)C
InChIInChI=1S/C14H20F2N2/c1-13(2)10(14(13,3)4)7-18-12-9(17)6-5-8(15)11(12)16/h5-6,10,18H,7,17H2,1-4H3
InChIKeyKVONKEXKEPSYKS-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine (CID 79352222) is 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine is CC1(C)C(CNc2c(N)ccc(F)c2F)C1(C)C.
What is the InChIKey of 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine?
The InChIKey is KVONKEXKEPSYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-13(2)10(14(13,3)4)7-18-12-9(17)6-5-8(15)11(12)16/h5-6,10,18H,7,17H2,1-4H3.
What are the key properties of 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine?
3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 79352222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).