4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine

C12H13ClF3N — CID 114275315

IUPAC4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(c2c(Cl)ccc(F)c2F)CC1
InChIInChI=1S/C12H13ClF3N/c13-8-1-2-9(14)11(15)10(8)12(16)5-3-7(17)4-6-12/h1-2,7H,3-6,17H2
InChIKeyQTKBGQUBNXOGRU-UHFFFAOYSA-N
MW263.69 g/mol
LogP3.68
Rot. Bonds1

About 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine

4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine (PubChem CID 114275315) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine
PubChem CID114275315
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(c2c(Cl)ccc(F)c2F)CC1
InChIInChI=1S/C12H13ClF3N/c13-8-1-2-9(14)11(15)10(8)12(16)5-3-7(17)4-6-12/h1-2,7H,3-6,17H2
InChIKeyQTKBGQUBNXOGRU-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine
CID 112562268
4-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 102864805
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562293
3-fluoro-3-(2-fluorophenyl)cyclopentan-1-amine
CID 112565720
4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine
CID 114667623
1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide
CID 141447851
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562267
3-(2,3-difluorophenyl)-3-methylcyclopentan-1-amine
CID 116538869
4-fluoro-4-thiophen-3-ylcyclohexan-1-amine
CID 112562385
2-(1-aminocyclopropyl)-3,4-difluorophenol
CID 84769570
3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
CID 112567366

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine (CID 114275315) is 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine is NC1CCC(F)(c2c(Cl)ccc(F)c2F)CC1.
What is the InChIKey of 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine?
The InChIKey is QTKBGQUBNXOGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N/c13-8-1-2-9(14)11(15)10(8)12(16)5-3-7(17)4-6-12/h1-2,7H,3-6,17H2.
What are the key properties of 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine?
4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine has a molecular weight of 263.69 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,3-difluorophenyl)-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 114275315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).