4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine

C14H19F3N2O — CID 63593630

IUPAC4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCC(Nc2cc(OC(F)F)c(F)cc2N)CC1
InChIInChI=1S/C14H19F3N2O/c1-8-2-4-9(5-3-8)19-12-7-13(20-14(16)17)10(15)6-11(12)18/h6-9,14,19H,2-5,18H2,1H3
InChIKeyVUTCLRGHUIWQEF-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.00
Rot. Bonds4

About 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine

4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine (PubChem CID 63593630) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
PubChem CID63593630
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCC(Nc2cc(OC(F)F)c(F)cc2N)CC1
InChIInChI=1S/C14H19F3N2O/c1-8-2-4-9(5-3-8)19-12-7-13(20-14(16)17)10(15)6-11(12)18/h6-9,14,19H,2-5,18H2,1H3
InChIKeyVUTCLRGHUIWQEF-UHFFFAOYSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine (CID 63593630) is 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine is CC1CCC(Nc2cc(OC(F)F)c(F)cc2N)CC1.
What is the InChIKey of 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
The InChIKey is VUTCLRGHUIWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-8-2-4-9(5-3-8)19-12-7-13(20-14(16)17)10(15)6-11(12)18/h6-9,14,19H,2-5,18H2,1H3.
What are the key properties of 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine has a molecular weight of 288.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 63593630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).